|
|
10 [AGLYSL01,10,10,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
3 2 1 5 1 6 1 8 1 0 0 0 0 -1.623410 1.696530 8.843110 1XA 0 0.33100 0.33100 AGLY C1 1
2 1 1 9 1 10 2 0 0 0 0 0 0 -1.543800 0.170997 8.896000 1XA 0 0.65900 0.65900 AGLY C2 2
43 8 1 0 0 0 0 0 0 0 0 0 0 -1.582700 1.764020 6.809410 1XA 0 0.36000 0.36000 AGLY H1 3
43 8 1 0 0 0 0 0 0 0 0 0 0 -0.127118 1.863000 7.473600 1XA 0 0.36000 0.36000 AGLY H3 4
41 1 1 0 0 0 0 0 0 0 0 0 0 -2.670680 1.998710 8.934300 1XA 0 0.00000 0.00000 AGLY H5 5
41 1 1 0 0 0 0 0 0 0 0 0 0 -1.046200 2.109180 9.675560 1XA 0 0.00000 0.00000 AGLY H6 6
42 9 1 0 0 0 0 0 0 0 0 0 0 -2.365490 0.328872 10.673200 1XA 0 0.50000 0.50000 AGLY H7 7
26 1 1 3 1 4 1 0 0 0 0 0 0 -1.081780 2.218210 7.578390 1XA 0 -0.99000 -0.99000 AGLY N1 8
16 2 1 7 1 0 0 0 0 0 0 0 0 -2.034380 -0.343708 10.047800 1XA 0 -0.65000 -0.65000 AGLY O5 9
15 2 2 0 0 0 0 0 0 0 0 0 0 -1.089300 -0.532622 8.004810 1XA 0 -0.57000 -0.57000 AGLY O6 10
15 [AMHTAR01,15,15,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 7 1 15 1 0 0 0 0 0 0 0 0 6.032920 4.150470 3.052100 1XA 0 -0.65000 -0.65000 CHGB O1 1
15 7 2 0 0 0 0 0 0 0 0 0 0 6.066310 6.345410 3.343420 1XA 0 -0.57000 -0.57000 CHGB O2 2
16 8 1 13 1 0 0 0 0 0 0 0 0 3.362790 6.580910 2.485780 1XA 0 -0.68000 -0.68000 CHGB O3 3
16 9 1 14 1 0 0 0 0 0 0 0 0 3.091690 4.769010 4.831030 1XA 0 -0.68000 -0.68000 CHGB O4 4
15 10 2 0 0 0 0 0 0 0 0 0 0 1.477870 4.596710 1.756070 1XA 0 -0.90000 -0.90000 CHGB O5 5
18 10 1 0 0 0 0 0 0 0 0 0 0 0.923206 3.651370 3.769620 1XA 0 -0.90000 -0.90000 CHGB O6 6
2 1 1 2 2 8 1 0 0 0 0 0 0 5.411370 5.355710 3.046670 1XA 0 0.65900 0.65900 CHGB C1 7
3 3 1 7 1 9 1 11 1 0 0 0 0 3.963710 5.282730 2.565920 1XA 0 0.34100 0.34100 CHGB C2 8
3 4 1 8 1 10 1 12 1 0 0 0 0 3.157420 4.330130 3.449400 1XA 0 0.17400 0.17400 CHGB C3 9
2 5 2 6 1 9 1 0 0 0 0 0 0 1.712400 4.162590 2.917600 1XA 0 0.90600 0.90600 CHGB C4 10
41 8 1 0 0 0 0 0 0 0 0 0 0 4.014080 4.906030 1.536190 1XA 0 0.00000 0.00000 CHGB H1 11
41 9 1 0 0 0 0 0 0 0 0 0 0 3.614630 3.333950 3.462000 1XA 0 0.00000 0.00000 CHGB H2 12
42 3 1 0 0 0 0 0 0 0 0 0 0 2.471550 6.396650 2.113000 1XA 0 0.40000 0.40000 CHGB H3 13
42 4 1 0 0 0 0 0 0 0 0 0 0 2.196190 4.458120 5.104680 1XA 0 0.40000 0.40000 CHGB H4 14
42 1 1 0 0 0 0 0 0 0 0 0 0 6.914400 4.382490 3.406800 1XA 0 0.50000 0.50000 CHGB H5 15
25 [AMPTRB10,25,25,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 15 1 14 2 2 1 0 0 0 0 0 0 -8.191940 -2.599580 15.520800 1XA 0 -0.17900 -0.17900 AMPT N1 1
2 1 1 4 2 3 1 0 0 0 0 0 0 -7.347330 -2.948070 16.474400 1XA 0 0.77100 0.77100 AMPT C2 2
25 2 1 17 1 16 1 0 0 0 0 0 0 -7.028000 -2.031430 17.449699 1XA 0 -0.90000 -0.90000 AMPT N2 3
25 2 2 5 1 0 0 0 0 0 0 0 0 -6.803010 -4.163530 16.553301 1XA 0 -0.62000 -0.62000 AMPT N3 4
2 4 1 7 2 6 1 0 0 0 0 0 0 -7.151010 -5.041370 15.593200 1XA 0 0.41000 0.41000 AMPT C4 5
25 5 1 19 1 18 1 0 0 0 0 0 0 -6.486080 -6.264890 15.629800 1XA 0 -0.90000 -0.90000 AMPT N4 6
2 5 2 14 1 8 1 0 0 0 0 0 0 -8.037280 -4.745960 14.549600 1XA 0 0.31000 0.31000 AMPT C41 7
25 7 1 9 2 0 0 0 0 0 0 0 0 -8.398840 -5.636370 13.589000 1XA 0 -0.62000 -0.62000 AMPT N5 8
2 8 2 11 1 10 1 0 0 0 0 0 0 -9.272340 -5.228740 12.632300 1XA 0 0.16650 0.16650 AMPT C6 9
3 9 1 22 1 21 1 20 1 0 0 0 0 -9.640700 -6.235140 11.582800 1XA 0 0.14350 0.14350 AMPT C61 10
2 9 1 13 2 12 1 0 0 0 0 0 0 -9.791360 -3.934730 12.641400 1XA 0 0.16650 0.16650 AMPT C7 11
3 11 1 25 1 24 1 23 1 0 0 0 0 -10.759200 -3.460500 11.596800 1XA 0 0.14350 0.14350 AMPT C71 12
25 11 2 14 1 0 0 0 0 0 0 0 0 -9.441690 -3.037180 13.605300 1XA 0 -0.62000 -0.62000 AMPT N8 13
2 1 2 7 1 13 1 0 0 0 0 0 0 -8.562990 -3.445780 14.557200 1XA 0 0.67100 0.67100 AMPT C81 14
43 1 1 0 0 0 0 0 0 0 0 0 0 -8.612520 -1.681820 15.517000 1XA 0 0.45700 0.45700 AMPT H1 15
43 3 1 0 0 0 0 0 0 0 0 0 0 -6.878750 -1.065270 17.187901 1XA 0 0.40000 0.40000 AMPT H21 16
43 3 1 0 0 0 0 0 0 0 0 0 0 -6.292370 -2.398700 18.054199 1XA 0 0.40000 0.40000 AMPT H22 17
43 6 1 0 0 0 0 0 0 0 0 0 0 -5.952780 -6.403620 16.482401 1XA 0 0.40000 0.40000 AMPT H41 18
43 6 1 0 0 0 0 0 0 0 0 0 0 -7.059360 -7.061190 15.359900 1XA 0 0.40000 0.40000 AMPT H42 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -10.717200 -6.430270 11.601800 1XA 0 0.00000 0.00000 AMPT H61 20
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.124100 -7.184500 11.758700 1XA 0 0.00000 0.00000 AMPT H62 21
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.352580 -5.875160 10.590500 1XA 0 0.00000 0.00000 AMPT H63 22
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.046100 -2.419740 11.780100 1XA 0 0.00000 0.00000 AMPT H71 23
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.669300 -4.067720 11.615300 1XA 0 0.00000 0.00000 AMPT H72 24
41 12 1 0 0 0 0 0 0 0 0 0 0 -10.304800 -3.513290 10.602800 1XA 0 0.00000 0.00000 AMPT H73 25
26 [ARGIND11,26,26,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 26 1 25 2 2 1 0 0 0 0 0 0 -9.423620 -3.913400 16.152599 1XA 0 0.90600 0.90600 ARGI C1 1
3 1 1 21 1 8 1 3 1 0 0 0 0 -7.870460 -3.861950 16.124701 1XA 0 0.16400 0.16400 ARGI C2 2
3 2 1 11 1 10 1 4 1 0 0 0 0 -7.358650 -3.440970 14.736100 1XA 0 0.00000 0.00000 ARGI C3 3
3 3 1 13 1 12 1 5 1 0 0 0 0 -7.572880 -4.415670 13.557900 1XA 0 0.00000 0.00000 ARGI C4 4
3 4 1 23 1 15 1 14 1 0 0 0 0 -8.885960 -4.225140 12.789000 1XA 0 0.32760 0.32760 ARGI C5 5
2 24 1 23 2 22 1 0 0 0 0 0 0 -11.250100 -4.162290 13.598800 1XA 0 1.20000 1.20000 ARGI C6 6
43 21 1 0 0 0 0 0 0 0 0 0 0 -7.964660 -5.879430 16.166599 1XA 0 0.36000 0.36000 ARGI H1 7
41 2 1 0 0 0 0 0 0 0 0 0 0 -7.545600 -3.115900 16.859800 1XA 0 0.00000 0.00000 ARGI H3 8
43 21 1 0 0 0 0 0 0 0 0 0 0 -7.455430 -5.263810 17.540701 1XA 0 0.36000 0.36000 ARGI H4 9
41 3 1 0 0 0 0 0 0 0 0 0 0 -7.773560 -2.459540 14.474000 1XA 0 0.00000 0.00000 ARGI H6 10
41 3 1 0 0 0 0 0 0 0 0 0 0 -6.274230 -3.288570 14.830400 1XA 0 0.00000 0.00000 ARGI H7 11
41 4 1 0 0 0 0 0 0 0 0 0 0 -6.761090 -4.234820 12.841200 1XA 0 0.00000 0.00000 ARGI H9 12
41 4 1 0 0 0 0 0 0 0 0 0 0 -7.471630 -5.456980 13.880800 1XA 0 0.00000 0.00000 ARGI H10 13
41 5 1 0 0 0 0 0 0 0 0 0 0 -9.017300 -3.165540 12.547700 1XA 0 0.00000 0.00000 ARGI H12 14
41 5 1 0 0 0 0 0 0 0 0 0 0 -8.845360 -4.798030 11.857100 1XA 0 0.00000 0.00000 ARGI H13 15
44 23 1 0 0 0 0 0 0 0 0 0 0 -9.856580 -5.305320 14.371900 1XA 0 0.45000 0.45000 ARGI H14 16
43 22 1 0 0 0 0 0 0 0 0 0 0 -11.081900 -3.049110 11.899000 1XA 0 0.45000 0.45000 ARGI H15 17
43 22 1 0 0 0 0 0 0 0 0 0 0 -12.578900 -2.860380 12.763300 1XA 0 0.45000 0.45000 ARGI H16 18
43 24 1 0 0 0 0 0 0 0 0 0 0 -11.579300 -4.898920 15.416700 1XA 0 0.45000 0.45000 ARGI H17 19
43 24 1 0 0 0 0 0 0 0 0 0 0 -12.922200 -4.005510 14.789100 1XA 0 0.45000 0.45000 ARGI H18 20
26 2 1 7 1 9 1 0 0 0 0 0 0 -7.304600 -5.179970 16.532600 1XA 0 -0.99000 -0.99000 ARGI N1 21
25 6 1 17 1 18 1 0 0 0 0 0 0 -11.682300 -3.308720 12.664400 1XA 0 -0.96667 -0.96667 ARGI N2 22
31 5 1 6 2 16 1 0 0 0 0 0 0 -10.032400 -4.711160 13.546000 1XA 0 -0.84427 -0.84427 ARGI N3 23
25 6 1 19 1 20 1 0 0 0 0 0 0 -12.065800 -4.493260 14.597800 1XA 0 -0.96667 -0.96667 ARGI N4 24
15 1 2 0 0 0 0 0 0 0 0 0 0 -9.939180 -5.080390 16.032000 1XA 0 -0.90000 -0.90000 ARGI O1 25
18 1 1 0 0 0 0 0 0 0 0 0 0 -10.047400 -2.820780 16.112700 1XA 0 -0.90000 -0.90000 ARGI O3 26
6 [BAOXLM01,6,6,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
15 3 2 0 0 0 0 0 0 0 0 0 0 -8.447500 -5.593070 13.307600 1XA 0 -0.90000 -0.90000 CHGB O1 1
18 3 1 0 0 0 0 0 0 0 0 0 0 -9.354090 -5.593070 15.409600 1XA 0 -0.90000 -0.90000 CHGB O2 2
2 1 2 2 1 4 1 0 0 0 0 0 0 -8.900800 -5.013350 14.358600 1XA 0 0.80000 0.80000 CHGB C1 3
2 3 1 5 2 6 1 0 0 0 0 0 0 -8.900800 -3.454050 14.358600 1XA 0 0.80000 0.80000 CHGB C1F 4
15 4 2 0 0 0 0 0 0 0 0 0 0 -8.447500 -2.874330 13.307600 1XA 0 -0.90000 -0.90000 CHGB O1F 5
18 4 1 0 0 0 0 0 0 0 0 0 0 -9.354090 -2.874330 15.409600 1XA 0 -0.90000 -0.90000 CHGB O2F 6
24 [BBSPRT10,24,24,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
58 14 1 0 0 0 0 0 0 0 0 0 0 -11.720600 -8.100740 15.055100 1XA 0 -0.11100 -0.11100 BBSP BR1 1
49 10 1 8 1 0 0 0 0 0 0 0 0 -9.236220 -1.611520 11.704100 1XA 0 -0.35800 -0.35800 BBSP S1 2
49 11 1 7 1 6 2 5 2 0 0 0 0 -7.342110 -3.506070 16.155701 1XA 0 1.44700 1.44700 BBSP S2 3
15 8 2 0 0 0 0 0 0 0 0 0 0 -9.129550 -4.150880 12.437900 1XA 0 -0.57000 -0.57000 BBSP O1 4
15 3 2 0 0 0 0 0 0 0 0 0 0 -7.895770 -2.561870 17.099501 1XA 0 -0.65000 -0.65000 BBSP O2 5
15 3 2 0 0 0 0 0 0 0 0 0 0 -6.066340 -4.150980 16.365900 1XA 0 -0.65000 -0.65000 BBSP O3 6
25 3 1 17 1 9 1 0 0 0 0 0 0 -7.230390 -2.717120 14.676200 1XA 0 -0.86500 -0.86500 BBSP N1 7
2 2 1 4 2 9 1 0 0 0 0 0 0 -8.951000 -2.983410 12.705000 1XA 0 0.65800 0.65800 BBSP C1 8
3 7 1 8 1 18 1 10 1 0 0 0 0 -8.396150 -2.151050 13.908700 1XA 0 0.36000 0.36000 BBSP C2 9
3 2 1 9 1 20 1 19 1 0 0 0 0 -8.075120 -0.977142 12.946400 1XA 0 0.21700 0.21700 BBSP C3 10
2 3 1 16 1 12 2 0 0 0 0 0 0 -8.553720 -4.762720 15.844200 1XA 0 -0.00900 -0.00900 BBSP C4 11
2 11 2 21 1 13 1 0 0 0 0 0 0 -8.167520 -5.943470 15.201800 1XA 0 -0.15000 -0.15000 BBSP C5 12
2 12 1 22 1 14 2 0 0 0 0 0 0 -9.117680 -6.938340 14.963400 1XA 0 -0.15000 -0.15000 BBSP C6 13
2 1 1 13 2 15 1 0 0 0 0 0 0 -10.436900 -6.751000 15.378400 1XA 0 0.11100 0.11100 BBSP C7 14
2 14 1 23 1 16 2 0 0 0 0 0 0 -10.817200 -5.580320 16.036600 1XA 0 -0.15000 -0.15000 BBSP C8 15
2 11 1 15 2 24 1 0 0 0 0 0 0 -9.871780 -4.581470 16.276600 1XA 0 -0.15000 -0.15000 BBSP C9 16
43 7 1 0 0 0 0 0 0 0 0 0 0 -6.425060 -3.046390 14.140700 1XA 0 0.42000 0.42000 BBSP H1 17
41 9 1 0 0 0 0 0 0 0 0 0 0 -9.200740 -1.890440 14.612000 1XA 0 0.00000 0.00000 BBSP H2 18
41 10 1 0 0 0 0 0 0 0 0 0 0 -7.036500 -0.949276 12.597400 1XA 0 0.00000 0.00000 BBSP H31 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -8.322970 0.010634 13.347500 1XA 0 0.00000 0.00000 BBSP H32 20
41 12 1 0 0 0 0 0 0 0 0 0 0 -7.139140 -6.095820 14.882100 1XA 0 0.15000 0.15000 BBSP H5 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -8.822150 -7.852130 14.453600 1XA 0 0.15000 0.15000 BBSP H6 22
41 15 1 0 0 0 0 0 0 0 0 0 0 -11.843300 -5.441020 16.368299 1XA 0 0.15000 0.15000 BBSP H8 23
41 16 1 0 0 0 0 0 0 0 0 0 0 -10.169800 -3.676020 16.801100 1XA 0 0.15000 0.15000 BBSP H9 24
24 [BEVJER10,24,24,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 1 3 2 13 1 0 0 0 0 0 0 -8.562580 -3.401790 13.699200 1XA 0 -0.03100 -0.03100 CHGB C1 1
2 1 1 8 2 14 1 0 0 0 0 0 0 -8.286990 -4.816810 13.934300 1XA 0 -0.03100 -0.03100 CHGB C2 2
2 1 2 4 1 6 1 0 0 0 0 0 0 -8.400630 -2.521300 12.680000 1XA 0 0.16100 0.16100 CHGB C3 3
1 3 1 5 3 0 0 0 0 0 0 0 0 -7.842010 -2.893770 11.418400 1XA 0 0.49210 0.49210 CHGB C4 4
24 4 3 0 0 0 0 0 0 0 0 0 0 -7.441010 -3.248670 10.390700 1XA 0 -0.55710 -0.55710 CHGB N5 5
1 3 1 7 3 0 0 0 0 0 0 0 0 -8.941930 -1.198960 12.707800 1XA 0 0.49210 0.49210 CHGB C6 6
24 6 3 0 0 0 0 0 0 0 0 0 0 -9.447590 -0.156833 12.743000 1XA 0 -0.55710 -0.55710 CHGB N7 7
2 2 2 9 1 11 1 0 0 0 0 0 0 -7.306080 -5.697290 13.613700 1XA 0 0.16100 0.16100 CHGB C8 8
1 8 1 10 3 0 0 0 0 0 0 0 0 -6.148310 -5.324820 12.863200 1XA 0 0.49210 0.49210 CHGB C9 9
24 9 3 0 0 0 0 0 0 0 0 0 0 -5.196650 -4.969930 12.305300 1XA 0 -0.55710 -0.55710 CHGB N10 10
1 8 1 12 3 0 0 0 0 0 0 0 0 -7.248230 -7.019630 14.152600 1XA 0 0.49210 0.49210 CHGB C11 11
24 11 3 0 0 0 0 0 0 0 0 0 0 -7.203230 -8.061760 14.657500 1XA 0 -0.55710 -0.55710 CHGB N12 12
2 1 1 14 1 15 2 0 0 0 0 0 0 -9.205330 -3.401790 15.010800 1XA 0 -0.03100 -0.03100 CHGB C1B 13
2 2 1 13 1 16 2 0 0 0 0 0 0 -9.480910 -4.816810 14.775700 1XA 0 -0.03100 -0.03100 CHGB C2B 14
2 13 2 17 1 18 1 0 0 0 0 0 0 -9.367270 -2.521300 16.030001 1XA 0 0.16100 0.16100 CHGB C3B 15
2 14 2 19 1 20 1 0 0 0 0 0 0 -10.461800 -5.697290 15.096300 1XA 0 0.16100 0.16100 CHGB C8B 16
1 15 1 21 3 0 0 0 0 0 0 0 0 -9.925890 -2.893770 17.291599 1XA 0 0.49210 0.49210 CHGB C4B 17
1 15 1 22 3 0 0 0 0 0 0 0 0 -8.825970 -1.198960 16.002199 1XA 0 0.49210 0.49210 CHGB C6B 18
1 16 1 23 3 0 0 0 0 0 0 0 0 -11.619600 -5.324820 15.846800 1XA 0 0.49210 0.49210 CHGB C9B 19
1 16 1 24 3 0 0 0 0 0 0 0 0 -10.519700 -7.019630 14.557400 1XA 0 0.49210 0.49210 CHGB C11B 20
24 17 3 0 0 0 0 0 0 0 0 0 0 -10.326900 -3.248670 18.319300 1XA 0 -0.55710 -0.55710 CHGB N5B 21
24 18 3 0 0 0 0 0 0 0 0 0 0 -8.320310 -0.156833 15.967000 1XA 0 -0.55710 -0.55710 CHGB N7B 22
24 19 3 0 0 0 0 0 0 0 0 0 0 -12.571300 -4.969930 16.404699 1XA 0 -0.55710 -0.55710 CHGB N10B 23
24 20 3 0 0 0 0 0 0 0 0 0 0 -10.564700 -8.061760 14.052500 1XA 0 -0.55710 -0.55710 CHGB N12B 24
59 [BEWCUB,59,59,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 2 1 5 1 7 1 0 0 0 0 0 0 -9.460050 -4.542510 14.521300 1XA 0 -0.39400 -0.39400 BEWC N1 1
2 1 1 3 2 24 1 0 0 0 0 0 0 -8.147290 -4.446650 14.082800 1XA 0 0.12340 0.12340 BEWC C2 2
2 2 2 4 1 9 1 0 0 0 0 0 0 -7.961840 -5.083000 12.915900 1XA 0 -0.08220 -0.08220 BEWC C3 3
3 3 1 5 1 37 1 38 1 0 0 0 0 -9.245520 -5.672190 12.410700 1XA 0 0.13820 0.13820 BEWC C4 4
3 1 1 4 1 6 1 39 1 0 0 0 0 -10.204000 -5.403720 13.571000 1XA 0 0.36300 0.36300 BEWC C5 5
2 5 1 7 1 8 2 0 0 0 0 0 0 -11.203300 -4.268820 13.489800 1XA 0 -0.24000 -0.24000 BEWC C6 6
2 1 1 6 1 23 2 0 0 0 0 0 0 -10.312900 -3.483900 14.348600 1XA 0 0.70100 0.70100 BEWC C7 7
2 6 2 17 1 18 1 0 0 0 0 0 0 -12.386000 -4.044960 12.886900 1XA 0 -0.24540 -0.24540 BEWC C8 8
49 3 1 10 1 16 2 0 0 0 0 0 0 -6.438740 -5.171500 12.025900 1XA 0 0.38800 0.38800 BEWC S9 9
2 9 1 11 2 40 1 0 0 0 0 0 0 -5.554350 -6.343150 13.055800 1XA 0 -0.09400 -0.09400 BEWC C10 10
2 10 2 12 1 41 1 0 0 0 0 0 0 -5.914690 -7.633010 13.050600 1XA 0 -0.04100 -0.04100 BEWC C11 11
25 11 1 13 1 42 1 0 0 0 0 0 0 -5.287950 -8.577840 13.827600 1XA 0 -0.53900 -0.53900 BEWC N12 12
2 12 1 14 2 15 1 0 0 0 0 0 0 -5.698830 -9.898140 13.883700 1XA 0 0.56900 0.56900 BEWC C13 13
15 13 2 0 0 0 0 0 0 0 0 0 0 -6.687500 -10.345100 13.309300 1XA 0 -0.57000 -0.57000 BEWC O14 14
3 13 1 43 1 44 1 45 1 0 0 0 0 -4.836530 -10.760900 14.767000 1XA 0 0.06100 0.06100 BEWC C15 15
15 9 2 0 0 0 0 0 0 0 0 0 0 -6.778580 -5.909300 10.764400 1XA 0 -0.50000 -0.50000 BEWC O16 16
3 8 1 46 1 47 1 48 1 0 0 0 0 -13.135000 -2.742070 13.026900 1XA 0 0.13820 0.13820 BEWC C17 17
3 8 1 19 1 49 1 50 1 0 0 0 0 -13.109100 -5.048040 12.007200 1XA 0 0.41820 0.41820 BEWC C18 18
16 18 1 20 1 0 0 0 0 0 0 0 0 -12.338100 -6.244100 11.853200 1XA 0 -0.43000 -0.43000 BEWC O19 19
2 19 1 21 2 22 1 0 0 0 0 0 0 -12.933500 -7.178210 11.061800 1XA 0 0.65900 0.65900 BEWC C20 20
15 20 2 0 0 0 0 0 0 0 0 0 0 -14.026400 -7.060040 10.527800 1XA 0 -0.57000 -0.57000 BEWC O21 21
3 20 1 51 1 52 1 53 1 0 0 0 0 -12.049600 -8.381080 10.936600 1XA 0 0.06100 0.06100 BEWC C22 22
15 7 2 0 0 0 0 0 0 0 0 0 0 -10.270000 -2.323090 14.695300 1XA 0 -0.57000 -0.57000 BEWC O23 23
2 2 1 25 2 26 1 0 0 0 0 0 0 -7.126620 -3.690370 14.864200 1XA 0 0.70560 0.70560 BEWC C24 24
15 24 2 0 0 0 0 0 0 0 0 0 0 -5.963900 -3.541240 14.518200 1XA 0 -0.57000 -0.57000 BEWC O25 25
16 24 1 27 1 0 0 0 0 0 0 0 0 -7.669900 -3.232650 16.018499 1XA 0 -0.43000 -0.43000 BEWC O26 26
3 26 1 28 1 54 1 55 1 0 0 0 0 -6.810220 -2.424300 16.830099 1XA 0 0.42350 0.42350 BEWC C27 27
2 27 1 29 2 33 1 0 0 0 0 0 0 -6.819270 -0.989577 16.359699 1XA 0 -0.14350 -0.14350 BEWC C28 28
2 28 2 30 1 58 1 0 0 0 0 0 0 -5.622800 -0.347840 16.007401 1XA 0 -0.15000 -0.15000 BEWC C29 29
2 29 1 31 2 59 1 0 0 0 0 0 0 -5.630790 0.979542 15.570600 1XA 0 -0.15000 -0.15000 BEWC C30 30
2 30 2 32 1 34 1 0 0 0 0 0 0 -6.845650 1.671380 15.484300 1XA 0 0.13300 0.13300 BEWC C31 31
2 31 1 33 2 56 1 0 0 0 0 0 0 -8.047490 1.044080 15.831200 1XA 0 -0.15000 -0.15000 BEWC C32 32
2 28 1 32 2 57 1 0 0 0 0 0 0 -8.028330 -0.282299 16.268499 1XA 0 -0.15000 -0.15000 BEWC C33 33
31 31 1 35 1 36 2 0 0 0 0 0 0 -6.857870 3.065140 15.024200 1XA 0 0.90700 0.90700 BEWC N34 34
18 34 1 0 0 0 0 0 0 0 0 0 0 -5.774620 3.576450 14.704500 1XA 0 -0.52000 -0.52000 BEWC O35 35
15 34 2 0 0 0 0 0 0 0 0 0 0 -7.948730 3.652380 14.985800 1XA 0 -0.52000 -0.52000 BEWC O36 36
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2 3 2 4 1 7 1 0 0 0 0 0 0 -8.121780 -4.792470 15.103000 1XA 0 0.16000 0.16000 CILW C1 6
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.790090 -5.120730 16.081499 1XA 0 0.15000 0.15000 CILW H1 7
41 4 1 0 0 0 0 0 0 0 0 0 0 -10.047900 -4.053230 15.712500 1XA 0 0.15000 0.15000 CILW H2 8
41 5 1 0 0 0 0 0 0 0 0 0 0 -10.531000 -3.396320 13.323200 1XA 0 0.15000 0.15000 CILW H3 9
29 [CIMRUL10,29,29,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
57 7 1 0 0 0 0 0 0 0 0 0 0 -13.443900 -3.278110 15.613900 1XA 0 -0.22730 -0.22730 UNCH CL1 1
15 9 2 0 0 0 0 0 0 0 0 0 0 -9.745400 -6.165320 12.566600 1XA 0 -0.57000 -0.57000 UNCH O1 2
15 16 2 0 0 0 0 0 0 0 0 0 0 -11.744200 -2.887260 12.523600 1XA 0 -0.57000 -0.57000 UNCH O2 3
16 16 1 17 1 0 0 0 0 0 0 0 0 -10.164900 -2.354500 14.114800 1XA 0 -0.43000 -0.43000 UNCH O3 4
25 6 1 9 1 21 1 0 0 0 0 0 0 -9.957400 -5.118930 14.602200 1XA 0 -0.57900 -0.57900 UNCH N1 5
3 5 1 7 1 8 1 16 1 0 0 0 0 -11.222800 -4.467360 14.267200 1XA 0 0.14900 0.14900 UNCH C1 6
3 1 1 6 1 8 1 20 1 0 0 0 0 -12.349600 -4.592320 15.281900 1XA 0 0.12730 0.12730 UNCH C2 7
3 6 1 7 1 18 1 19 1 0 0 0 0 -12.447900 -5.331320 13.991300 1XA 0 -0.20000 -0.20000 UNCH C3 8
2 2 2 5 1 10 1 0 0 0 0 0 0 -9.278390 -5.867790 13.659400 1XA 0 0.54380 0.54380 UNCH C4 9
2 9 1 11 2 15 1 0 0 0 0 0 0 -7.894300 -6.279900 14.022100 1XA 0 0.08620 0.08620 UNCH C5 10
2 10 2 12 1 22 1 0 0 0 0 0 0 -6.976480 -6.506640 12.988700 1XA 0 -0.15000 -0.15000 UNCH C6 11
2 11 1 13 2 23 1 0 0 0 0 0 0 -5.667630 -6.890870 13.284100 1XA 0 -0.15000 -0.15000 UNCH C7 12
2 12 2 14 1 24 1 0 0 0 0 0 0 -5.273540 -7.059010 14.610900 1XA 0 -0.15000 -0.15000 UNCH C8 13
2 13 1 15 2 25 1 0 0 0 0 0 0 -6.187460 -6.851340 15.644100 1XA 0 -0.15000 -0.15000 UNCH C9 14
2 10 1 14 2 26 1 0 0 0 0 0 0 -7.498470 -6.465660 15.353600 1XA 0 -0.15000 -0.15000 UNCH C10 15
2 3 2 4 1 6 1 0 0 0 0 0 0 -11.089700 -3.163600 13.519100 1XA 0 0.72000 0.72000 UNCH C11 16
3 4 1 27 1 28 1 29 1 0 0 0 0 -10.007000 -1.096790 13.458900 1XA 0 0.28000 0.28000 UNCH C12 17
41 8 1 0 0 0 0 0 0 0 0 0 0 -12.320600 -6.407210 14.001600 1XA 0 0.10000 0.10000 UNCH H1 18
41 8 1 0 0 0 0 0 0 0 0 0 0 -13.151900 -4.989270 13.240400 1XA 0 0.10000 0.10000 UNCH H2 19
41 7 1 0 0 0 0 0 0 0 0 0 0 -12.176800 -5.168450 16.181801 1XA 0 0.10000 0.10000 UNCH H3 20
43 5 1 0 0 0 0 0 0 0 0 0 0 -9.402000 -4.649450 15.309400 1XA 0 0.37000 0.37000 UNCH H4 21
41 11 1 0 0 0 0 0 0 0 0 0 0 -7.279470 -6.382870 11.950400 1XA 0 0.15000 0.15000 UNCH H5 22
41 12 1 0 0 0 0 0 0 0 0 0 0 -4.958140 -7.063150 12.478300 1XA 0 0.15000 0.15000 UNCH H6 23
41 13 1 0 0 0 0 0 0 0 0 0 0 -4.254490 -7.362890 14.839100 1XA 0 0.15000 0.15000 UNCH H7 24
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.879300 -7.001030 16.676300 1XA 0 0.15000 0.15000 UNCH H8 25
41 15 1 0 0 0 0 0 0 0 0 0 0 -8.199740 -6.344110 16.173901 1XA 0 0.15000 0.15000 UNCH H9 26
41 17 1 0 0 0 0 0 0 0 0 0 0 -10.946100 -0.534701 13.474800 1XA 0 0.00000 0.00000 UNCH H10 27
41 17 1 0 0 0 0 0 0 0 0 0 0 -9.252190 -0.523227 14.003900 1XA 0 0.00000 0.00000 UNCH H11 28
41 17 1 0 0 0 0 0 0 0 0 0 0 -9.656790 -1.240360 12.431900 1XA 0 0.00000 0.00000 UNCH H12 29
32 [CINVIE,32,32,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
15 12 2 0 0 0 0 0 0 0 0 0 0 -10.228000 -6.591540 15.637100 1XA 0 -0.57000 -0.57000 UNCH O1 1
16 13 1 22 1 0 0 0 0 0 0 0 0 -9.503000 -7.041070 13.060200 1XA 0 -0.68000 -0.68000 UNCH O2 2
18 9 1 0 0 0 0 0 0 0 0 0 0 -11.815900 -4.706650 13.123300 1XA 0 -0.52000 -0.52000 UNCH O3 3
15 9 2 0 0 0 0 0 0 0 0 0 0 -11.163600 -5.128840 11.066800 1XA 0 -0.52000 -0.52000 UNCH O4 4
18 10 1 0 0 0 0 0 0 0 0 0 0 -9.944960 -2.222620 11.189300 1XA 0 -0.52000 -0.52000 UNCH O5 5
15 10 2 0 0 0 0 0 0 0 0 0 0 -11.000200 -1.505080 12.979300 1XA 0 -0.52000 -0.52000 UNCH O6 6
18 11 1 0 0 0 0 0 0 0 0 0 0 -11.313000 -3.277440 17.116501 1XA 0 -0.52000 -0.52000 UNCH O7 7
15 11 2 0 0 0 0 0 0 0 0 0 0 -9.601050 -4.530470 17.708599 1XA 0 -0.52000 -0.52000 UNCH O8 8
31 3 1 4 2 14 1 0 0 0 0 0 0 -10.952700 -4.852960 12.250800 1XA 0 0.79980 0.79980 UNCH N1 9
31 5 1 6 2 15 1 0 0 0 0 0 0 -10.178700 -2.228540 12.404800 1XA 0 0.79980 0.79980 UNCH N2 10
31 7 1 8 2 17 1 0 0 0 0 0 0 -10.352300 -4.016300 16.872200 1XA 0 0.83560 0.83560 UNCH N3 11
2 1 2 13 1 17 1 0 0 0 0 0 0 -9.851700 -5.607300 15.005800 1XA 0 0.49460 0.49460 UNCH C1 12
3 2 1 12 1 14 1 21 1 0 0 0 0 -9.152030 -5.782620 13.646200 1XA 0 0.34100 0.34100 UNCH C2 13
3 9 1 13 1 15 1 23 1 0 0 0 0 -9.506410 -4.641740 12.668300 1XA 0 0.24020 0.24020 UNCH C3 14
3 10 1 14 1 16 1 18 1 0 0 0 0 -9.325520 -3.215390 13.267500 1XA 0 0.47340 0.47340 UNCH C4 15
2 15 1 17 2 24 1 0 0 0 0 0 0 -9.776380 -3.139260 14.730100 1XA 0 -0.28820 -0.28820 UNCH C5 16
2 11 1 12 1 16 2 0 0 0 0 0 0 -10.011200 -4.222670 15.490600 1XA 0 0.21880 0.21880 UNCH C6 17
3 15 1 19 1 20 1 25 1 0 0 0 0 -7.863110 -2.735570 13.074000 1XA 0 -0.19500 -0.19500 UNCH C7 18
3 18 1 20 1 26 1 27 1 0 0 0 0 -7.429160 -1.351130 13.521700 1XA 0 -0.20000 -0.20000 UNCH C8 19
3 18 1 19 1 28 1 29 1 0 0 0 0 -6.854800 -2.560220 14.195800 1XA 0 -0.20000 -0.20000 UNCH C9 20
3 13 1 30 1 31 1 32 1 0 0 0 0 -7.645580 -5.890730 13.914400 1XA 0 0.00000 0.00000 UNCH C10 21
42 2 1 0 0 0 0 0 0 0 0 0 0 -9.648010 -7.680460 13.791800 1XA 0 0.40000 0.40000 UNCH H2 22
41 14 1 0 0 0 0 0 0 0 0 0 0 -8.934950 -4.761440 11.737200 1XA 0 0.00000 0.00000 UNCH H3 23
41 16 1 0 0 0 0 0 0 0 0 0 0 -9.891090 -2.143020 15.162200 1XA 0 0.15000 0.15000 UNCH H5 24
41 18 1 0 0 0 0 0 0 0 0 0 0 -7.469500 -3.035180 12.102400 1XA 0 0.10000 0.10000 UNCH H7 25
41 19 1 0 0 0 0 0 0 0 0 0 0 -8.104910 -0.723335 14.093400 1XA 0 0.10000 0.10000 UNCH H81 26
41 19 1 0 0 0 0 0 0 0 0 0 0 -6.781610 -0.782761 12.859300 1XA 0 0.10000 0.10000 UNCH H82 27
41 20 1 0 0 0 0 0 0 0 0 0 0 -5.814980 -2.799860 13.988500 1XA 0 0.10000 0.10000 UNCH H91 28
41 20 1 0 0 0 0 0 0 0 0 0 0 -7.124180 -2.718180 15.233900 1XA 0 0.10000 0.10000 UNCH H92 29
41 21 1 0 0 0 0 0 0 0 0 0 0 -7.406520 -6.850050 14.390700 1XA 0 0.00000 0.00000 UNCH H101 30
41 21 1 0 0 0 0 0 0 0 0 0 0 -7.274880 -5.110980 14.581200 1XA 0 0.00000 0.00000 UNCH H102 31
41 21 1 0 0 0 0 0 0 0 0 0 0 -7.076530 -5.861170 12.978700 1XA 0 0.00000 0.00000 UNCH H103 32
26 [CIPVOM,26,26,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 8 1 2 2 0 0 0 0 0 0 0 0 -9.080050 -5.142160 14.102600 1XA 0 -0.12600 -0.12600 CIPV N11 1
25 1 2 3 1 0 0 0 0 0 0 0 0 -8.729530 -6.309620 14.488500 1XA 0 -0.06200 -0.06200 CIPV N21 2
26 2 1 9 1 4 1 0 0 0 0 0 0 -7.943790 -6.187260 15.647500 1XA 0 -0.37810 -0.37810 CIPV N31 3
25 3 1 8 1 5 1 0 0 0 0 0 0 -7.753220 -4.872780 15.824600 1XA 0 0.70960 0.70960 CIPV N41 4
25 4 1 6 2 0 0 0 0 0 0 0 0 -7.093080 -4.120910 16.691601 1XA 0 -0.70680 -0.70680 CIPV N51 5
2 5 2 10 1 7 1 0 0 0 0 0 0 -7.417390 -2.877900 16.275200 1XA 0 0.10780 0.10780 CIPV C61 6
2 6 1 12 1 8 2 0 0 0 0 0 0 -8.296850 -2.894120 15.132600 1XA 0 -0.08600 -0.08600 CIPV C71 7
2 1 1 4 1 7 2 0 0 0 0 0 0 -8.472460 -4.234700 14.897900 1XA 0 -0.02560 -0.02560 CIPV C711 8
3 3 1 18 1 17 1 16 1 0 0 0 0 -6.886300 -7.148330 15.818600 1XA 0 0.30010 0.30010 CIPV C311 9
3 6 1 21 1 20 1 19 1 0 0 0 0 -6.877160 -1.690230 16.987000 1XA 0 0.18100 0.18100 CIPV C611 10
15 12 2 0 0 0 0 0 0 0 0 0 0 -8.634520 -0.612181 14.703700 1XA 0 -0.57000 -0.57000 CIPV O721 11
2 7 1 11 2 13 1 0 0 0 0 0 0 -8.859640 -1.779470 14.408400 1XA 0 0.80600 0.80600 CIPV C731 12
16 12 1 14 1 0 0 0 0 0 0 0 0 -9.656450 -2.168220 13.373200 1XA 0 -0.43000 -0.43000 CIPV O741 13
3 13 1 23 1 22 1 15 1 0 0 0 0 -10.235900 -1.090010 12.630400 1XA 0 0.28000 0.28000 CIPV C751 14
3 14 1 26 1 25 1 24 1 0 0 0 0 -11.088000 -1.682320 11.525000 1XA 0 0.00000 0.00000 CIPV C761 15
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.117740 -6.990910 15.056200 1XA 0 0.00000 0.00000 CIPV H311 16
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.300530 -8.156110 15.724200 1XA 0 0.00000 0.00000 CIPV H321 17
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.450590 -7.035350 16.815399 1XA 0 0.00000 0.00000 CIPV H331 18
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.283990 -1.073560 16.304501 1XA 0 0.00000 0.00000 CIPV H611 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -7.693730 -1.081690 17.388100 1XA 0 0.00000 0.00000 CIPV H621 20
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.232950 -1.982330 17.822901 1XA 0 0.00000 0.00000 CIPV H631 21
41 14 1 0 0 0 0 0 0 0 0 0 0 -10.860300 -0.478700 13.291500 1XA 0 0.00000 0.00000 CIPV H751 22
41 14 1 0 0 0 0 0 0 0 0 0 0 -9.442570 -0.472116 12.195200 1XA 0 0.00000 0.00000 CIPV H752 23
41 15 1 0 0 0 0 0 0 0 0 0 0 -11.873300 -2.320430 11.943600 1XA 0 0.00000 0.00000 CIPV H761 24
41 15 1 0 0 0 0 0 0 0 0 0 0 -11.554200 -0.894437 10.926900 1XA 0 0.00000 0.00000 CIPV H762 25
41 15 1 0 0 0 0 0 0 0 0 0 0 -10.481600 -2.313930 10.867400 1XA 0 0.00000 0.00000 CIPV H763 26
18 [CIPYAB10,18,18,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 1 3 1 4 2 0 0 0 0 0 0 -9.207880 -4.772080 14.208800 1XA 0 0.00000 0.00000 CHGB C1 1
2 1 1 3 1 5 2 0 0 0 0 0 0 -7.941130 -4.251920 14.494700 1XA 0 0.00000 0.00000 CHGB C2 2
2 1 1 2 1 6 2 0 0 0 0 0 0 -9.032560 -3.390490 14.340800 1XA 0 0.00000 0.00000 CHGB C3 3
2 1 2 7 1 8 1 0 0 0 0 0 0 -9.994490 -5.809420 13.980900 1XA 0 0.13000 0.13000 CHGB C4 4
2 2 2 9 1 10 1 0 0 0 0 0 0 -6.654830 -4.438060 14.734600 1XA 0 0.13000 0.13000 CHGB C5 5
2 3 2 11 1 12 1 0 0 0 0 0 0 -9.532270 -2.167000 14.328900 1XA 0 0.13000 0.13000 CHGB C6 6
1 4 1 13 3 0 0 0 0 0 0 0 0 -11.377500 -5.624050 13.722000 1XA 0 0.49210 0.49210 CHGB C7 7
1 4 1 14 3 0 0 0 0 0 0 0 0 -9.471230 -7.128580 13.990700 1XA 0 0.49210 0.49210 CHGB C8 8
1 5 1 15 3 0 0 0 0 0 0 0 0 -6.104980 -5.746310 14.750400 1XA 0 0.49210 0.49210 CHGB C9 9
1 5 1 16 3 0 0 0 0 0 0 0 0 -5.798770 -3.333270 14.980900 1XA 0 0.49210 0.49210 CHGB C10 10
1 6 1 17 3 0 0 0 0 0 0 0 0 -8.699120 -1.044130 14.572000 1XA 0 0.49210 0.49210 CHGB C11 11
1 6 1 18 3 0 0 0 0 0 0 0 0 -10.911600 -1.952630 14.072700 1XA 0 0.49210 0.49210 CHGB C12 12
24 7 3 0 0 0 0 0 0 0 0 0 0 -12.505100 -5.459810 13.511700 1XA 0 -0.55710 -0.55710 CHGB N1 13
24 8 3 0 0 0 0 0 0 0 0 0 0 -9.032160 -8.200910 14.001400 1XA 0 -0.55710 -0.55710 CHGB N2 14
24 9 3 0 0 0 0 0 0 0 0 0 0 -5.667800 -6.819410 14.760600 1XA 0 -0.55710 -0.55710 CHGB N3 15
24 10 3 0 0 0 0 0 0 0 0 0 0 -5.109910 -2.423120 15.180600 1XA 0 -0.55710 -0.55710 CHGB N4 16
24 11 3 0 0 0 0 0 0 0 0 0 0 -8.008640 -0.135261 14.772000 1XA 0 -0.55710 -0.55710 CHGB N5 17
24 12 3 0 0 0 0 0 0 0 0 0 0 -12.039500 -1.790450 13.862300 1XA 0 -0.55710 -0.55710 CHGB N6 18
14 [CISMOG,14,14,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 2 1 3 1 0 0 0 0 0 0 0 0 -11.819500 -5.916610 13.641000 1XA 0 0.44140 0.44140 UNCH S1 1
25 1 1 4 2 0 0 0 0 0 0 0 0 -10.301500 -6.518670 14.010200 1XA 0 -0.50950 -0.50950 UNCH N1 2
25 1 1 5 2 0 0 0 0 0 0 0 0 -11.524800 -4.268230 13.712700 1XA 0 -0.50950 -0.50950 UNCH N2 3
2 2 2 5 1 8 1 0 0 0 0 0 0 -9.585020 -5.417440 14.184500 1XA 0 0.28880 0.28880 UNCH C1 4
2 3 2 4 1 6 1 0 0 0 0 0 0 -10.224300 -4.114930 14.029000 1XA 0 0.28880 0.28880 UNCH C2 5
2 5 1 7 1 9 2 0 0 0 0 0 0 -9.566820 -2.864770 14.189000 1XA 0 -0.15000 -0.15000 UNCH C3 6
41 6 1 0 0 0 0 0 0 0 0 0 0 -10.112900 -1.935860 14.056200 1XA 0 0.15000 0.15000 UNCH H1 7
2 4 1 10 2 11 1 0 0 0 0 0 0 -8.182870 -5.417440 14.525600 1XA 0 0.28880 0.28880 UNCH C1B 8
2 6 2 11 1 12 1 0 0 0 0 0 0 -8.201090 -2.864770 14.521200 1XA 0 -0.15000 -0.15000 UNCH C3B 9
25 8 2 13 1 0 0 0 0 0 0 0 0 -7.466430 -6.518680 14.699800 1XA 0 -0.50950 -0.50950 UNCH N1B 10
2 8 1 9 1 14 2 0 0 0 0 0 0 -7.543620 -4.114940 14.681100 1XA 0 0.28880 0.28880 UNCH C2B 11
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.654970 -1.935870 14.654000 1XA 0 0.15000 0.15000 UNCH H1B 12
49 10 1 14 1 0 0 0 0 0 0 0 0 -5.948390 -5.916630 15.069100 1XA 0 0.44140 0.44140 UNCH S1B 13
25 11 2 13 1 0 0 0 0 0 0 0 0 -6.243140 -4.268240 14.997400 1XA 0 -0.50950 -0.50950 UNCH N2B 14
24 [CISPOJ,24,24,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 2 6 1 21 1 0 0 0 0 0 0 -8.794390 -3.264560 14.004900 1XA 0 -0.15000 -0.15000 CISP C1 1
2 1 2 3 1 13 1 0 0 0 0 0 0 -8.961130 -4.641320 14.261500 1XA 0 -0.15160 -0.15160 CISP C2 2
2 2 1 4 2 7 1 0 0 0 0 0 0 -8.347400 -5.626070 13.480900 1XA 0 0.00000 0.00000 CISP C3 3
2 3 2 5 1 15 1 0 0 0 0 0 0 -7.535290 -5.211410 12.402600 1XA 0 0.13300 0.13300 CISP C4 4
2 4 1 6 2 22 1 0 0 0 0 0 0 -7.343260 -3.849670 12.120200 1XA 0 -0.15000 -0.15000 CISP C5 5
2 1 1 5 2 16 1 0 0 0 0 0 0 -7.975000 -2.893730 12.921800 1XA 0 0.13300 0.13300 CISP C6 6
2 3 1 14 2 23 1 0 0 0 0 0 0 -8.759630 -6.843570 14.071100 1XA 0 0.13880 0.13880 CISP C7 7
2 9 2 12 1 13 1 0 0 0 0 0 0 -10.475700 -4.846110 16.247101 1XA 0 0.11050 0.11050 CISP C8 8
25 8 2 10 1 0 0 0 0 0 0 0 0 -10.734300 -3.591640 16.534901 1XA 0 -0.33810 -0.33810 CISP N1 9
25 9 1 11 2 0 0 0 0 0 0 0 0 -11.570700 -3.637620 17.628901 1XA 0 0.00000 0.00000 CISP N2 10
25 10 2 12 1 0 0 0 0 0 0 0 0 -11.813500 -4.891920 17.995300 1XA 0 -0.41800 -0.41800 CISP N3 11
25 8 1 11 1 24 1 0 0 0 0 0 0 -11.126600 -5.649450 17.128099 1XA 0 0.29960 0.29960 CISP N4 12
25 2 1 8 1 14 1 0 0 0 0 0 0 -9.682200 -5.323130 15.228700 1XA 0 0.64560 0.64560 CISP N5 13
25 7 2 13 1 0 0 0 0 0 0 0 0 -9.559610 -6.668680 15.124200 1XA 0 -0.70680 -0.70680 CISP N6 14
31 4 1 17 1 18 2 0 0 0 0 0 0 -6.876600 -6.220600 11.580100 1XA 0 0.90700 0.90700 CISP N7 15
31 6 1 19 1 20 2 0 0 0 0 0 0 -7.780680 -1.464840 12.625900 1XA 0 0.90700 0.90700 CISP N8 16
18 15 1 0 0 0 0 0 0 0 0 0 0 -7.403990 -7.337080 11.500500 1XA 0 -0.52000 -0.52000 CISP O1 17
15 15 2 0 0 0 0 0 0 0 0 0 0 -5.830720 -5.887760 11.008600 1XA 0 -0.52000 -0.52000 CISP O2 18
18 16 1 0 0 0 0 0 0 0 0 0 0 -7.180230 -1.174860 11.582600 1XA 0 -0.52000 -0.52000 CISP O3 19
15 16 2 0 0 0 0 0 0 0 0 0 0 -8.228990 -0.643682 13.435800 1XA 0 -0.52000 -0.52000 CISP O4 20
41 1 1 0 0 0 0 0 0 0 0 0 0 -9.286200 -2.519150 14.628900 1XA 0 0.15000 0.15000 CISP H1 21
41 5 1 0 0 0 0 0 0 0 0 0 0 -6.710050 -3.547860 11.286000 1XA 0 0.15000 0.15000 CISP H5 22
41 7 1 0 0 0 0 0 0 0 0 0 0 -8.508450 -7.856800 13.775600 1XA 0 0.15000 0.15000 CISP H7 23
43 12 1 0 0 0 0 0 0 0 0 0 0 -11.142600 -6.661290 17.187901 1XA 0 0.27000 0.27000 CISP H4 24
18 [CITDIS,18,18,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 2 10 1 12 1 0 0 0 0 0 0 -9.059060 -4.511900 14.363100 1XA 0 0.08250 0.08250 UNCH C1 1
2 1 2 3 1 4 1 0 0 0 0 0 0 -7.736630 -4.047200 14.300800 1XA 0 0.17700 0.17700 UNCH C2 2
57 2 1 0 0 0 0 0 0 0 0 0 0 -7.175990 -2.904920 15.477900 1XA 0 -0.17700 -0.17700 UNCH CL2 3
2 2 1 5 1 6 2 0 0 0 0 0 0 -6.893750 -4.529520 13.290900 1XA 0 0.17700 0.17700 UNCH C3 4
57 4 1 0 0 0 0 0 0 0 0 0 0 -5.251680 -4.014490 13.126600 1XA 0 -0.17700 -0.17700 UNCH CL3 5
2 4 2 7 1 8 1 0 0 0 0 0 0 -7.367600 -5.471370 12.369100 1XA 0 -0.15000 -0.15000 UNCH C4 6
41 6 1 0 0 0 0 0 0 0 0 0 0 -6.714930 -5.846520 11.583100 1XA 0 0.15000 0.15000 UNCH H4 7
2 6 1 9 1 10 2 0 0 0 0 0 0 -8.679690 -5.943740 12.453300 1XA 0 -0.15000 -0.15000 UNCH C5 8
41 8 1 0 0 0 0 0 0 0 0 0 0 -9.032930 -6.681200 11.735900 1XA 0 0.15000 0.15000 UNCH H5 9
2 1 1 8 2 11 1 0 0 0 0 0 0 -9.525820 -5.469110 13.454400 1XA 0 0.17700 0.17700 UNCH C6 10
57 10 1 0 0 0 0 0 0 0 0 0 0 -11.131200 -6.093110 13.546900 1XA 0 -0.17700 -0.17700 UNCH CL6 11
16 1 1 13 1 0 0 0 0 0 0 0 0 -9.912310 -4.049760 15.373600 1XA 0 -0.23250 -0.23250 UNCH O1 12
2 12 1 14 2 15 1 0 0 0 0 0 0 -10.624500 -2.928510 14.965800 1XA 0 0.65900 0.65900 UNCH C7 13
15 13 2 0 0 0 0 0 0 0 0 0 0 -10.551800 -2.378320 13.875000 1XA 0 -0.57000 -0.57000 UNCH O7 14
3 13 1 16 1 17 1 18 1 0 0 0 0 -11.515100 -2.482360 16.085899 1XA 0 0.06100 0.06100 UNCH C8 15
41 15 1 0 0 0 0 0 0 0 0 0 0 -10.910400 -2.216740 16.956499 1XA 0 0.00000 0.00000 UNCH H81 16
41 15 1 0 0 0 0 0 0 0 0 0 0 -12.078700 -1.599760 15.770300 1XA 0 0.00000 0.00000 UNCH H82 17
41 15 1 0 0 0 0 0 0 0 0 0 0 -12.222800 -3.276930 16.335199 1XA 0 0.00000 0.00000 UNCH H83 18
28 [CITNOI10,28,28,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 6 1 7 1 0 0 0 0 0 0 0 0 -8.266370 -2.234210 13.217100 1XA 0 -0.37100 -0.37100 CITK S1 1
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27 [CIZFIA,27,27,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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3 1 1 2 1 4 1 6 1 0 0 0 0 -9.344260 -5.023810 15.108500 1XA 0 -0.04900 -0.04900 CIZJ C4 8
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31 1 1 11 1 9 2 0 0 0 0 0 0 -9.472430 -3.151800 15.010100 1XA 0 0.86800 0.86800 CIZW N2 8
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41 12 1 0 0 0 0 0 0 0 0 0 0 -9.338390 -2.275530 16.184299 1XA 0 0.00000 0.00000 UNCH H12 25
22 [COCXUN,22,22,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 14 2 9 1 2 1 0 0 0 0 0 0 -9.839570 -3.386410 13.417200 1XA 0 0.34940 0.34940 COCX C1 1
2 1 1 17 1 3 2 0 0 0 0 0 0 -8.482430 -3.807500 12.971600 1XA 0 -0.13560 -0.13560 COCX C2 2
2 2 2 18 1 4 1 0 0 0 0 0 0 -7.645960 -4.496810 13.750500 1XA 0 -0.13560 -0.13560 COCX C3 3
2 3 1 16 2 10 1 0 0 0 0 0 0 -7.990440 -4.910220 15.139100 1XA 0 0.34940 0.34940 COCX C4 4
2 19 1 10 1 6 2 0 0 0 0 0 0 -9.742010 -4.858910 16.920700 1XA 0 -0.15000 -0.15000 COCX C5 5
2 5 2 20 1 7 1 0 0 0 0 0 0 -11.000700 -4.496020 17.401800 1XA 0 -0.15000 -0.15000 COCX C6 6
2 6 1 21 1 8 2 0 0 0 0 0 0 -11.872200 -3.777850 16.590300 1XA 0 -0.15000 -0.15000 COCX C7 7
2 7 2 22 1 9 1 0 0 0 0 0 0 -11.485200 -3.422390 15.297500 1XA 0 -0.15000 -0.15000 COCX C8 8
2 1 1 8 1 10 2 0 0 0 0 0 0 -10.219100 -3.783310 14.803500 1XA 0 0.08620 0.08620 COCX C9 9
2 4 1 5 1 9 2 0 0 0 0 0 0 -9.342760 -4.505500 15.619600 1XA 0 0.08620 0.08620 COCX C10 10
1 14 1 13 3 0 0 0 0 0 0 0 0 -10.389100 -2.344820 11.462200 1XA 0 0.66310 0.66310 COCX C11 11
1 16 1 15 3 0 0 0 0 0 0 0 0 -6.004150 -5.958290 15.545400 1XA 0 0.66310 0.66310 COCX C12 12
24 11 3 0 0 0 0 0 0 0 0 0 0 -10.098400 -2.034330 10.384600 1XA 0 -0.55710 -0.55710 COCX N1 13
25 1 2 11 1 0 0 0 0 0 0 0 0 -10.695600 -2.717260 12.709000 1XA 0 -0.55600 -0.55600 COCX N2 14
24 12 3 0 0 0 0 0 0 0 0 0 0 -4.952620 -6.274840 15.176300 1XA 0 -0.55710 -0.55710 COCX N3 15
25 4 2 12 1 0 0 0 0 0 0 0 0 -7.222930 -5.578970 15.942700 1XA 0 -0.55600 -0.55600 COCX N4 16
41 2 1 0 0 0 0 0 0 0 0 0 0 -8.164050 -3.539810 11.968700 1XA 0 0.15000 0.15000 COCX H2 17
41 3 1 0 0 0 0 0 0 0 0 0 0 -6.670810 -4.770340 13.359200 1XA 0 0.15000 0.15000 COCX H3 18
41 5 1 0 0 0 0 0 0 0 0 0 0 -9.077800 -5.420860 17.575001 1XA 0 0.15000 0.15000 COCX H5 19
41 6 1 0 0 0 0 0 0 0 0 0 0 -11.298800 -4.774930 18.410200 1XA 0 0.15000 0.15000 COCX H6 20
41 7 1 0 0 0 0 0 0 0 0 0 0 -12.854300 -3.493160 16.961800 1XA 0 0.15000 0.15000 COCX H7 21
41 8 1 0 0 0 0 0 0 0 0 0 0 -12.185000 -2.860280 14.681600 1XA 0 0.15000 0.15000 COCX H8 22
23 [COGDEH,23,23,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 7 2 2 1 0 0 0 0 0 0 0 0 -9.846970 -5.911410 17.778601 1XA 0 -0.33810 -0.33810 COGD N1 1
25 1 1 3 2 0 0 0 0 0 0 0 0 -8.830980 -6.165990 18.672199 1XA 0 0.00000 0.00000 COGD N2 2
25 2 2 4 1 0 0 0 0 0 0 0 0 -7.663320 -5.738990 18.209600 1XA 0 -0.41800 -0.41800 COGD N3 3
25 3 1 7 1 5 1 0 0 0 0 0 0 -7.934400 -5.207730 17.012100 1XA 0 0.77160 0.77160 COGD N4 4
25 4 1 8 2 0 0 0 0 0 0 0 0 -6.982520 -4.660270 16.222300 1XA 0 -0.65200 -0.65200 COGD N5 5
25 9 2 7 1 0 0 0 0 0 0 0 0 -9.825340 -4.847380 15.583700 1XA 0 -0.57600 -0.57600 COGD N6 6
2 1 2 4 1 6 1 0 0 0 0 0 0 -9.290110 -5.314750 16.744400 1XA 0 0.31250 0.31250 COGD C1 7
2 5 2 10 1 9 1 0 0 0 0 0 0 -7.479590 -4.208240 15.107200 1XA 0 0.43560 0.43560 COGD C2 8
2 6 2 8 1 13 1 0 0 0 0 0 0 -8.972110 -4.301710 14.762100 1XA 0 0.36380 0.36380 COGD C3 9
2 8 1 18 1 11 2 0 0 0 0 0 0 -6.585580 -3.573590 14.116000 1XA 0 -0.13560 -0.13560 COGD C4 10
2 10 2 19 1 12 1 0 0 0 0 0 0 -7.060160 -3.098160 12.960600 1XA 0 -0.17840 -0.17840 COGD C5 11
2 11 1 14 1 13 2 0 0 0 0 0 0 -8.476900 -3.171920 12.602000 1XA 0 0.02840 0.02840 COGD C6 12
2 9 1 12 2 17 1 0 0 0 0 0 0 -9.419180 -3.751470 13.461700 1XA 0 0.08620 0.08620 COGD C7 13
2 12 1 20 1 15 2 0 0 0 0 0 0 -8.908110 -2.653710 11.373700 1XA 0 -0.15000 -0.15000 COGD C8 14
2 14 2 21 1 16 1 0 0 0 0 0 0 -10.256500 -2.714210 11.012400 1XA 0 -0.15000 -0.15000 COGD C9 15
2 15 1 22 1 17 2 0 0 0 0 0 0 -11.186800 -3.292310 11.873300 1XA 0 -0.15000 -0.15000 COGD C10 16
2 13 1 16 2 23 1 0 0 0 0 0 0 -10.771400 -3.811830 13.098700 1XA 0 -0.15000 -0.15000 COGD C11 17
41 10 1 0 0 0 0 0 0 0 0 0 0 -5.532910 -3.513110 14.370700 1XA 0 0.15000 0.15000 COGD H4 18
41 11 1 0 0 0 0 0 0 0 0 0 0 -6.378990 -2.636330 12.250400 1XA 0 0.15000 0.15000 COGD H5 19
41 14 1 0 0 0 0 0 0 0 0 0 0 -8.202100 -2.196920 10.682900 1XA 0 0.15000 0.15000 COGD H8 20
41 15 1 0 0 0 0 0 0 0 0 0 0 -10.581400 -2.309060 10.056400 1XA 0 0.15000 0.15000 COGD H9 21
41 16 1 0 0 0 0 0 0 0 0 0 0 -12.236300 -3.338940 11.591100 1XA 0 0.15000 0.15000 COGD H10 22
41 17 1 0 0 0 0 0 0 0 0 0 0 -11.507100 -4.261090 13.763200 1XA 0 0.15000 0.15000 COGD H11 23
18 [COGYAY,18,18,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
57 5 1 0 0 0 0 0 0 0 0 0 0 -7.502230 -1.029240 11.623000 1XA 0 -0.12300 -0.12300 COGH CL1 1
25 3 1 6 2 0 0 0 0 0 0 0 0 -10.070600 -3.688130 12.775700 1XA 0 -0.70680 -0.70680 COGH N1 2
25 2 1 4 1 7 1 0 0 0 0 0 0 -8.995370 -3.813310 13.609100 1XA 0 0.85900 0.85900 COGH N2 3
25 3 1 5 2 0 0 0 0 0 0 0 0 -7.960510 -2.959740 13.376100 1XA 0 -0.70680 -0.70680 COGH N3 4
2 1 1 4 2 6 1 0 0 0 0 0 0 -8.410550 -2.258410 12.337600 1XA 0 0.41180 0.41180 COGH C4 5
2 2 2 5 1 13 1 0 0 0 0 0 0 -9.684330 -2.694490 11.971300 1XA 0 0.13880 0.13880 COGH C5 6
2 3 1 8 2 12 1 0 0 0 0 0 0 -8.959540 -4.773930 14.653400 1XA 0 -0.02300 -0.02300 COGH C6 7
2 7 2 9 1 14 1 0 0 0 0 0 0 -7.834120 -4.866860 15.485200 1XA 0 -0.15000 -0.15000 COGH C7 8
2 8 1 10 2 15 1 0 0 0 0 0 0 -7.803020 -5.813390 16.511400 1XA 0 -0.15000 -0.15000 COGH C8 9
2 9 2 11 1 16 1 0 0 0 0 0 0 -8.888720 -6.666060 16.710400 1XA 0 -0.15000 -0.15000 COGH C9 10
2 10 1 12 2 17 1 0 0 0 0 0 0 -10.009700 -6.576710 15.885200 1XA 0 -0.15000 -0.15000 COGH C10 11
2 7 1 11 2 18 1 0 0 0 0 0 0 -10.049200 -5.633100 14.856600 1XA 0 -0.15000 -0.15000 COGH C11 12
41 6 1 0 0 0 0 0 0 0 0 0 0 -10.334500 -2.348960 11.180500 1XA 0 0.15000 0.15000 COGH H1 13
41 8 1 0 0 0 0 0 0 0 0 0 0 -6.976210 -4.211330 15.347400 1XA 0 0.15000 0.15000 COGH H2 14
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.930500 -5.885320 17.156300 1XA 0 0.15000 0.15000 COGH H3 15
41 10 1 0 0 0 0 0 0 0 0 0 0 -8.861130 -7.401900 17.510401 1XA 0 0.15000 0.15000 COGH H4 16
41 11 1 0 0 0 0 0 0 0 0 0 0 -10.854500 -7.242780 16.042700 1XA 0 0.15000 0.15000 COGH H5 17
41 12 1 0 0 0 0 0 0 0 0 0 0 -10.933400 -5.580030 14.224200 1XA 0 0.15000 0.15000 COGH H6 18
15 [COHKOZ,15,15,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 3 1 8 1 0 0 0 0 0 0 0 0 -9.299190 -2.292830 14.061700 1XA 0 0.18070 0.18070 UNCH S1 1
16 10 1 11 1 0 0 0 0 0 0 0 0 -10.658300 -4.078080 15.991200 1XA 0 -0.43000 -0.43000 UNCH O9 2
25 1 1 7 2 0 0 0 0 0 0 0 0 -8.107840 -2.163380 12.893100 1XA 0 -0.50950 -0.50950 UNCH N2 3
25 7 1 8 2 0 0 0 0 0 0 0 0 -7.994410 -4.416540 13.606800 1XA 0 -0.56530 -0.56530 UNCH N4 4
24 9 3 0 0 0 0 0 0 0 0 0 0 -5.603340 -3.770730 11.120800 1XA 0 -0.55710 -0.55710 UNCH N7 5
25 10 2 12 1 0 0 0 0 0 0 0 0 -9.430870 -6.000820 15.536000 1XA 0 -0.85000 -0.85000 UNCH N11 6
2 3 2 4 1 9 1 0 0 0 0 0 0 -7.545160 -3.371400 12.803300 1XA 0 0.53500 0.53500 UNCH C3 7
2 1 1 4 2 10 1 0 0 0 0 0 0 -8.975070 -3.946360 14.358800 1XA 0 0.29310 0.29310 UNCH C5 8
1 5 3 7 1 0 0 0 0 0 0 0 0 -6.472210 -3.585780 11.871400 1XA 0 0.53810 0.53810 UNCH C6 9
2 2 1 6 2 8 1 0 0 0 0 0 0 -9.687110 -4.751730 15.322300 1XA 0 0.68500 0.68500 UNCH C8 10
3 2 1 13 1 14 1 15 1 0 0 0 0 -11.392400 -4.836880 16.958599 1XA 0 0.28000 0.28000 UNCH C10 11
43 6 1 0 0 0 0 0 0 0 0 0 0 -8.659520 -6.279860 14.911500 1XA 0 0.40000 0.40000 UNCH H11 12
41 11 1 0 0 0 0 0 0 0 0 0 0 -12.132800 -4.173140 17.413799 1XA 0 0.00000 0.00000 UNCH H101 13
41 11 1 0 0 0 0 0 0 0 0 0 0 -11.921700 -5.664370 16.476101 1XA 0 0.00000 0.00000 UNCH H102 14
41 11 1 0 0 0 0 0 0 0 0 0 0 -10.726000 -5.201810 17.746300 1XA 0 0.00000 0.00000 UNCH H103 15
23 [COJFIQ,23,23,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 13 1 6 2 2 1 0 0 0 0 0 0 -8.808110 -5.574820 13.642900 1XA 0 -0.17900 -0.17900 COJF N1 1
2 1 1 23 1 3 2 0 0 0 0 0 0 -7.626280 -6.094000 14.012800 1XA 0 0.52100 0.52100 COJF C2 2
25 2 2 4 1 0 0 0 0 0 0 0 0 -6.708960 -5.467550 14.780900 1XA 0 -0.57900 -0.57900 COJF N3 3
2 3 1 10 1 5 2 0 0 0 0 0 0 -7.123810 -4.214030 15.131700 1XA 0 0.61900 0.61900 COJF C4 4
2 4 2 8 1 6 1 0 0 0 0 0 0 -8.332620 -3.624480 14.777400 1XA 0 0.30900 0.30900 COJF C5 5
2 1 2 5 1 7 1 0 0 0 0 0 0 -9.255770 -4.347670 13.991300 1XA 0 0.50200 0.50200 COJF C6 6
25 6 1 12 1 11 1 0 0 0 0 0 0 -10.484400 -3.958020 13.472600 1XA 0 -0.83820 -0.83820 COJF N6 7
25 5 1 14 1 9 2 0 0 0 0 0 0 -8.299610 -2.364070 15.368700 1XA 0 -0.70000 -0.70000 COJF N7 8
2 8 2 15 1 10 1 0 0 0 0 0 0 -7.143480 -2.188720 16.033100 1XA 0 0.65000 0.65000 COJF C8 9
25 4 1 9 1 16 1 0 0 0 0 0 0 -6.438160 -3.312400 15.886600 1XA 0 -0.70000 -0.70000 COJF N9 10
3 7 1 19 1 18 1 17 1 0 0 0 0 -11.639700 -4.721060 13.979500 1XA 0 0.36910 0.36910 COJF C10 11
3 7 1 22 1 21 1 20 1 0 0 0 0 -10.754200 -2.522620 13.328200 1XA 0 0.36910 0.36910 COJF C11 12
43 1 1 0 0 0 0 0 0 0 0 0 0 -9.406480 -6.114120 13.015300 1XA 0 0.45700 0.45700 COJF H1 13
43 8 1 0 0 0 0 0 0 0 0 0 0 -9.029130 -1.652690 15.337500 1XA 0 0.45000 0.45000 COJF H7 14
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.845330 -1.302680 16.585699 1XA 0 0.15000 0.15000 COJF H8 15
43 10 1 0 0 0 0 0 0 0 0 0 0 -5.513770 -3.480760 16.281099 1XA 0 0.45000 0.45000 COJF H9 16
41 11 1 0 0 0 0 0 0 0 0 0 0 -11.810500 -4.505740 15.040300 1XA 0 0.00000 0.00000 COJF H10 17
41 11 1 0 0 0 0 0 0 0 0 0 0 -12.544300 -4.454760 13.422100 1XA 0 0.00000 0.00000 COJF H11 18
41 11 1 0 0 0 0 0 0 0 0 0 0 -11.491500 -5.799420 13.858000 1XA 0 0.00000 0.00000 COJF H12 19
41 12 1 0 0 0 0 0 0 0 0 0 0 -9.906400 -2.006720 12.864200 1XA 0 0.00000 0.00000 COJF H13 20
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.620100 -2.369500 12.674800 1XA 0 0.00000 0.00000 COJF H14 21
41 12 1 0 0 0 0 0 0 0 0 0 0 -10.974200 -2.061380 14.296800 1XA 0 0.00000 0.00000 COJF H15 22
41 2 1 0 0 0 0 0 0 0 0 0 0 -7.386460 -7.093240 13.653800 1XA 0 0.15000 0.15000 COJF H2 23
25 [COKDEL,25,25,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 2 2 3 1 4 1 0 0 0 0 0 0 -9.414220 -2.574950 12.872700 1XA 0 0.35850 0.35850 COKD S1 1
15 1 2 0 0 0 0 0 0 0 0 0 0 -8.040210 -2.579930 12.271500 1XA 0 -0.50000 -0.50000 COKD O1 2
16 1 1 5 1 0 0 0 0 0 0 0 0 -9.431500 -3.697220 14.028600 1XA 0 -0.33200 -0.33200 COKD O2 3
3 1 1 14 1 15 1 16 1 0 0 0 0 -10.488600 -3.542960 11.784700 1XA 0 0.19350 0.19350 COKD C1 4
3 3 1 6 1 8 1 12 1 0 0 0 0 -8.556850 -3.455790 15.137700 1XA 0 0.48000 0.48000 COKD C2 5
1 5 1 7 3 0 0 0 0 0 0 0 0 -9.330160 -2.780270 16.204599 1XA 0 -0.20000 -0.20000 COKD C3 6
1 6 3 13 1 0 0 0 0 0 0 0 0 -9.959630 -2.222580 17.062599 1XA 0 -0.17700 -0.17700 COKD C4 7
3 5 1 9 1 10 1 11 1 0 0 0 0 -7.947860 -4.817000 15.604500 1XA 0 0.00000 0.00000 COKD C5 8
3 8 1 17 1 18 1 19 1 0 0 0 0 -7.146070 -5.435500 14.437900 1XA 0 0.00000 0.00000 COKD C6 9
3 8 1 20 1 21 1 22 1 0 0 0 0 -6.982900 -4.607460 16.788099 1XA 0 0.00000 0.00000 COKD C7 10
3 8 1 23 1 24 1 25 1 0 0 0 0 -9.038910 -5.826640 16.014799 1XA 0 0.00000 0.00000 COKD C8 11
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.723700 -2.799620 14.846900 1XA 0 0.00000 0.00000 COKD H2 12
41 7 1 0 0 0 0 0 0 0 0 0 0 -10.518000 -1.728400 17.824100 1XA 0 0.17700 0.17700 COKD H4 13
41 4 1 0 0 0 0 0 0 0 0 0 0 -11.466200 -3.665040 12.257100 1XA 0 0.00000 0.00000 COKD H11 14
41 4 1 0 0 0 0 0 0 0 0 0 0 -10.605100 -3.006120 10.840500 1XA 0 0.00000 0.00000 COKD H12 15
41 4 1 0 0 0 0 0 0 0 0 0 0 -10.039400 -4.521120 11.595600 1XA 0 0.00000 0.00000 COKD H13 16
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.661890 -6.370620 14.742100 1XA 0 0.00000 0.00000 COKD H61 17
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.789410 -5.664790 13.581300 1XA 0 0.00000 0.00000 COKD H62 18
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.360980 -4.752530 14.094300 1XA 0 0.00000 0.00000 COKD H63 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -7.504600 -4.242170 17.678900 1XA 0 0.00000 0.00000 COKD H71 20
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.488980 -5.546060 17.064899 1XA 0 0.00000 0.00000 COKD H72 21
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.200150 -3.883590 16.535101 1XA 0 0.00000 0.00000 COKD H73 22
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.736760 -6.021740 15.193300 1XA 0 0.00000 0.00000 COKD H81 23
41 11 1 0 0 0 0 0 0 0 0 0 0 -8.595350 -6.786980 16.302601 1XA 0 0.00000 0.00000 COKD H82 24
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.619720 -5.468870 16.871401 1XA 0 0.00000 0.00000 COKD H83 25
27 [COKROJ,27,27,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
41 14 1 0 0 0 0 0 0 0 0 0 0 -11.775500 -6.957580 14.097100 1XA 0 0.15000 0.15000 CHGB H1 1
41 16 1 0 0 0 0 0 0 0 0 0 0 -10.056400 -7.576330 10.765700 1XA 0 0.00000 0.00000 CHGB H2 2
41 16 1 0 0 0 0 0 0 0 0 0 0 -9.539650 -8.951670 11.761300 1XA 0 0.00000 0.00000 CHGB H3 3
41 16 1 0 0 0 0 0 0 0 0 0 0 -11.244800 -8.472820 11.725900 1XA 0 0.00000 0.00000 CHGB H4 4
41 19 1 0 0 0 0 0 0 0 0 0 0 -6.832210 -3.772990 15.016600 1XA 0 0.15000 0.15000 CHGB H5 5
41 20 1 0 0 0 0 0 0 0 0 0 0 -6.131750 -1.875990 13.594400 1XA 0 0.15000 0.15000 CHGB H6 6
41 22 1 0 0 0 0 0 0 0 0 0 0 -9.904580 0.067409 14.341800 1XA 0 0.15000 0.15000 CHGB H7 7
41 23 1 0 0 0 0 0 0 0 0 0 0 -10.593200 -1.836810 15.765500 1XA 0 0.15000 0.15000 CHGB H8 8
43 24 1 0 0 0 0 0 0 0 0 0 0 -6.564390 0.420795 12.983200 1XA 0 0.40000 0.40000 CHGB H9 9
43 24 1 0 0 0 0 0 0 0 0 0 0 -8.035660 1.190730 13.287600 1XA 0 0.40000 0.40000 CHGB H10 10
16 15 1 12 1 0 0 0 0 0 0 0 0 -8.734250 -6.650940 12.939100 1XA 0 -0.01910 -0.01910 CHGB O1 11
25 11 1 13 2 0 0 0 0 0 0 0 0 -8.670900 -5.827610 14.045800 1XA 0 -0.40970 -0.40970 CHGB N1 12
2 12 2 17 1 14 1 0 0 0 0 0 0 -9.880310 -5.871060 14.616900 1XA 0 -0.01720 -0.01720 CHGB C1 13
2 1 1 13 1 15 2 0 0 0 0 0 0 -10.744100 -6.722400 13.885300 1XA 0 -0.15000 -0.15000 CHGB C2 14
2 11 1 14 2 16 1 0 0 0 0 0 0 -9.978630 -7.186020 12.846400 1XA 0 -0.04000 -0.04000 CHGB C3 15
3 2 1 3 1 4 1 15 1 0 0 0 0 -10.218000 -8.094170 11.716100 1XA 0 0.18000 0.18000 CHGB C4 16
201 13 1 27 1 0 0 0 0 0 0 0 0 -10.272600 -5.193870 15.747900 1XA 0 -0.23410 -0.23410 CHGB N2 17
2 27 1 23 1 19 2 0 0 0 0 0 0 -8.745640 -2.905450 15.481800 1XA 0 -0.00900 -0.00900 CHGB C5 18
2 5 1 18 2 20 1 0 0 0 0 0 0 -7.487650 -2.916600 14.883100 1XA 0 -0.15000 -0.15000 CHGB C6 19
2 6 1 19 1 21 2 0 0 0 0 0 0 -7.097300 -1.835930 14.088100 1XA 0 -0.15000 -0.15000 CHGB C7 20
2 20 2 24 1 22 1 0 0 0 0 0 0 -7.931050 -0.721566 13.938300 1XA 0 0.10000 0.10000 CHGB C8 21
2 7 1 21 1 23 2 0 0 0 0 0 0 -9.211200 -0.751342 14.503800 1XA 0 -0.15000 -0.15000 CHGB C9 22
2 8 1 18 1 22 2 0 0 0 0 0 0 -9.613790 -1.828770 15.296900 1XA 0 -0.15000 -0.15000 CHGB C10 23
25 9 1 10 1 21 1 0 0 0 0 0 0 -7.570480 0.317809 13.063800 1XA 0 -0.90000 -0.90000 CHGB N3 24
15 27 2 0 0 0 0 0 0 0 0 0 0 -9.907730 -3.536650 17.651400 1XA 0 -0.65000 -0.65000 CHGB O2 25
15 27 2 0 0 0 0 0 0 0 0 0 0 -7.990140 -4.882980 16.966499 1XA 0 -0.65000 -0.65000 CHGB O3 26
49 17 1 18 1 25 2 26 2 0 0 0 0 -9.258190 -4.273840 16.561501 1XA 0 0.84910 0.84910 CHGB S1 27
44 [COLZUY,44,44,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
53 9 1 7 1 4 1 0 0 0 0 0 0 -10.144300 -5.921520 13.972300 1XA 0 0.05510 0.05510 COLZ P1 1
3 20 1 19 1 8 1 3 1 0 0 0 0 -7.470820 -6.306590 15.589100 1XA 0 0.00000 0.00000 COLZ C1 2
3 2 1 22 1 21 1 4 1 0 0 0 0 -7.460760 -6.372010 14.056200 1XA 0 0.27000 0.27000 COLZ C2 3
26 1 1 3 1 5 1 0 0 0 0 0 0 -8.569400 -5.635900 13.468700 1XA 0 -0.65100 -0.65100 COLZ N1 4
3 4 1 24 1 23 1 6 1 0 0 0 0 -8.297090 -4.947110 12.209900 1XA 0 0.27000 0.27000 COLZ C3 5
3 5 1 26 1 25 1 10 1 0 0 0 0 -7.366390 -3.697860 12.290700 1XA 0 0.27000 0.27000 COLZ C4 6
26 1 1 11 1 8 1 0 0 0 0 0 0 -9.992680 -5.993230 15.657200 1XA 0 -0.65100 -0.65100 COLZ N2 7
3 2 1 7 1 28 1 27 1 0 0 0 0 -8.821860 -6.683210 16.208500 1XA 0 0.27000 0.27000 COLZ C5 8
3 1 1 31 1 30 1 29 1 0 0 0 0 -10.375000 -7.683350 13.536300 1XA 0 0.16690 0.16690 COLZ C6 9
26 6 1 13 1 12 1 0 0 0 0 0 0 -7.775700 -2.499780 13.052700 1XA 0 -0.65100 -0.65100 COLZ N2B 10
3 7 1 33 1 32 1 14 1 0 0 0 0 -10.402000 -4.795160 16.419100 1XA 0 0.27000 0.27000 COLZ C4B 11
53 10 1 16 1 15 1 0 0 0 0 0 0 -7.624070 -2.571500 14.737600 1XA 0 0.05510 0.05510 COLZ P1B 12
3 10 1 35 1 34 1 17 1 0 0 0 0 -8.946520 -1.809810 12.501400 1XA 0 0.27000 0.27000 COLZ C5B 13
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41 17 1 0 0 0 0 0 0 0 0 0 0 -10.594000 -3.184820 12.790000 1XA 0 0.00000 0.00000 COLZ H24 42
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23 [COMDIR,23,23,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
58 7 1 0 0 0 0 0 0 0 0 0 0 -6.040920 -6.121890 12.289200 1XA 0 -0.11000 -0.11000 UNCH BR1 1
58 10 1 0 0 0 0 0 0 0 0 0 0 -8.656900 -1.838740 15.522800 1XA 0 -0.23000 -0.23000 UNCH BR2 2
15 5 2 0 0 0 0 0 0 0 0 0 0 -9.509070 -2.385030 12.442700 1XA 0 -0.57000 -0.57000 UNCH O1 3
15 8 2 0 0 0 0 0 0 0 0 0 0 -7.524750 -6.701190 14.902800 1XA 0 -0.57000 -0.57000 UNCH O2 4
2 3 2 6 1 10 1 0 0 0 0 0 0 -8.964590 -3.232120 13.150300 1XA 0 0.49460 0.49460 UNCH C1 5
2 5 1 7 2 16 1 0 0 0 0 0 0 -7.889840 -4.040710 12.551000 1XA 0 -0.13560 -0.13560 UNCH C2 6
2 1 1 6 2 8 1 0 0 0 0 0 0 -7.378830 -5.124510 13.139400 1XA 0 0.12440 0.12440 UNCH C3 7
2 4 2 7 1 9 1 0 0 0 0 0 0 -7.868400 -5.603090 14.463200 1XA 0 0.49460 0.49460 UNCH C4 8
3 8 1 10 1 14 1 19 1 0 0 0 0 -8.766390 -4.713510 15.290000 1XA 0 0.06100 0.06100 UNCH C5 9
3 2 1 5 1 9 1 11 1 0 0 0 0 -9.328300 -3.448070 14.604100 1XA 0 0.29100 0.29100 UNCH C6 10
3 10 1 12 1 15 1 17 1 0 0 0 0 -10.858500 -3.579240 14.819200 1XA 0 0.13820 0.13820 UNCH C7 11
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3 9 1 13 1 15 1 18 1 0 0 0 0 -10.057000 -5.461020 15.724800 1XA 0 0.13820 0.13820 UNCH C10 14
3 11 1 14 1 22 1 23 1 0 0 0 0 -10.926600 -4.285060 16.182800 1XA 0 0.00000 0.00000 UNCH C11 15
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.558300 -3.710310 11.571700 1XA 0 0.15000 0.15000 UNCH H2 16
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41 14 1 0 0 0 0 0 0 0 0 0 0 -9.928990 -6.253870 16.463400 1XA 0 0.00000 0.00000 UNCH H10 18
41 9 1 0 0 0 0 0 0 0 0 0 0 -8.192270 -4.455500 16.190300 1XA 0 0.00000 0.00000 UNCH H5 19
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.954800 -4.646670 13.074600 1XA 0 0.15000 0.15000 UNCH H8 20
41 13 1 0 0 0 0 0 0 0 0 0 0 -10.981200 -6.866670 14.131800 1XA 0 0.15000 0.15000 UNCH H9 21
41 15 1 0 0 0 0 0 0 0 0 0 0 -11.944400 -4.579640 16.471399 1XA 0 0.00000 0.00000 UNCH H11 22
41 15 1 0 0 0 0 0 0 0 0 0 0 -10.484500 -3.714430 17.005899 1XA 0 0.00000 0.00000 UNCH H11_ 23
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2 2 2 3 1 8 1 0 0 0 0 0 0 -10.331900 -4.690630 13.636900 1XA 0 0.66700 0.66700 UNCH C1 1
15 1 2 0 0 0 0 0 0 0 0 0 0 -11.378200 -5.166950 14.050300 1XA 0 -0.57000 -0.57000 UNCH O1 2
16 1 1 4 1 0 0 0 0 0 0 0 0 -10.248600 -3.442980 13.083700 1XA 0 -0.43000 -0.43000 UNCH O2 3
3 3 1 5 1 11 1 12 1 0 0 0 0 -8.934620 -3.219580 12.542700 1XA 0 0.28000 0.28000 UNCH C2 4
3 4 1 6 1 8 1 13 1 0 0 0 0 -7.973410 -4.238710 13.130200 1XA 0 0.00000 0.00000 UNCH C3 5
3 5 1 7 1 14 1 15 1 0 0 0 0 -7.523890 -4.032270 14.596000 1XA 0 0.00000 0.00000 UNCH C4 6
3 6 1 8 1 9 1 16 1 0 0 0 0 -8.095390 -5.431600 14.919200 1XA 0 0.18100 0.18100 UNCH C5 7
3 1 1 5 1 7 1 17 1 0 0 0 0 -8.931740 -5.330820 13.626800 1XA 0 0.05300 0.05300 UNCH C6 8
1 7 1 10 3 0 0 0 0 0 0 0 0 -8.810520 -5.542230 16.169701 1XA 0 0.37610 0.37610 UNCH C7 9
24 9 3 0 0 0 0 0 0 0 0 0 0 -9.351660 -5.626080 17.191601 1XA 0 -0.55710 -0.55710 UNCH N1 10
41 4 1 0 0 0 0 0 0 0 0 0 0 -9.003450 -3.322950 11.454500 1XA 0 0.00000 0.00000 UNCH H1 11
41 4 1 0 0 0 0 0 0 0 0 0 0 -8.626730 -2.194700 12.771600 1XA 0 0.00000 0.00000 UNCH H2 12
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.177470 -4.582620 12.461900 1XA 0 0.00000 0.00000 UNCH H3 13
41 6 1 0 0 0 0 0 0 0 0 0 0 -6.443240 -3.932100 14.736700 1XA 0 0.00000 0.00000 UNCH H4 14
41 6 1 0 0 0 0 0 0 0 0 0 0 -8.018480 -3.197270 15.107400 1XA 0 0.00000 0.00000 UNCH H5 15
41 7 1 0 0 0 0 0 0 0 0 0 0 -7.323200 -6.209130 14.829200 1XA 0 0.00000 0.00000 UNCH H6 16
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18 [COMWOQ,18,18,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 12 1 8 1 2 1 0 0 0 0 0 0 -10.034600 -5.792500 13.851500 1XA 0 0.03320 0.03320 COMW N1 1
2 1 1 13 1 3 2 0 0 0 0 0 0 -10.888800 -5.104790 14.672500 1XA 0 -0.30160 -0.30160 COMW C2 2
2 2 2 10 1 9 1 0 0 0 0 0 0 -10.271000 -3.926340 15.050800 1XA 0 -0.08600 -0.08600 COMW C3 3
2 14 1 9 1 5 2 0 0 0 0 0 0 -7.903710 -3.003620 14.416300 1XA 0 -0.15000 -0.15000 COMW C4 4
2 4 2 15 1 6 1 0 0 0 0 0 0 -6.754800 -3.302390 13.675200 1XA 0 -0.15000 -0.15000 COMW C5 5
2 5 1 16 1 7 2 0 0 0 0 0 0 -6.669100 -4.485660 12.946500 1XA 0 -0.15000 -0.15000 COMW C6 6
2 6 2 17 1 8 1 0 0 0 0 0 0 -7.724200 -5.402510 12.936000 1XA 0 -0.15000 -0.15000 COMW C7 7
2 1 1 7 1 9 2 0 0 0 0 0 0 -8.866100 -5.087690 13.682900 1XA 0 -0.15160 -0.15160 COMW C8 8
2 3 1 4 1 8 2 0 0 0 0 0 0 -8.984370 -3.910500 14.424200 1XA 0 0.00000 0.00000 COMW C9 9
2 3 1 18 1 11 2 0 0 0 0 0 0 -10.862900 -2.928060 15.922400 1XA 0 0.59600 0.59600 COMW C10 10
15 10 2 0 0 0 0 0 0 0 0 0 0 -10.312000 -1.883380 16.256201 1XA 0 -0.57000 -0.57000 COMW O11 11
43 1 1 0 0 0 0 0 0 0 0 0 0 -10.226300 -6.689340 13.425900 1XA 0 0.27000 0.27000 COMW H12 12
41 2 1 0 0 0 0 0 0 0 0 0 0 -11.860700 -5.513770 14.915500 1XA 0 0.15000 0.15000 COMW H13 13
41 4 1 0 0 0 0 0 0 0 0 0 0 -7.961440 -2.076980 14.982300 1XA 0 0.15000 0.15000 COMW H14 14
41 5 1 0 0 0 0 0 0 0 0 0 0 -5.923880 -2.601270 13.671300 1XA 0 0.15000 0.15000 COMW H15 15
41 6 1 0 0 0 0 0 0 0 0 0 0 -5.767800 -4.700100 12.376700 1XA 0 0.15000 0.15000 COMW H16 16
41 7 1 0 0 0 0 0 0 0 0 0 0 -7.652650 -6.323340 12.366500 1XA 0 0.15000 0.15000 COMW H17 17
41 10 1 0 0 0 0 0 0 0 0 0 0 -11.877200 -3.164740 16.286301 1XA 0 0.06000 0.06000 COMW H18 18
27 [COMWUW,27,27,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 14 1 9 1 3 1 0 0 0 0 0 0 -7.833130 -2.382520 13.340400 1XA 0 0.03320 0.03320 COMW N1 1
26 13 1 12 1 11 1 0 0 0 0 0 0 -9.017800 -5.003550 16.835501 1XA 0 -0.81000 -0.81000 COMW N11 2
2 1 1 15 1 4 2 0 0 0 0 0 0 -8.289110 -2.328210 14.629600 1XA 0 -0.30160 -0.30160 COMW C2 3
2 3 2 11 1 10 1 0 0 0 0 0 0 -8.978470 -3.497530 14.899300 1XA 0 -0.18100 -0.18100 COMW C3 4
2 16 1 10 1 6 2 0 0 0 0 0 0 -9.439100 -5.551250 13.341300 1XA 0 -0.15000 -0.15000 COMW C4 5
2 5 2 17 1 7 1 0 0 0 0 0 0 -9.216290 -6.043580 12.050400 1XA 0 -0.15000 -0.15000 COMW C5 6
2 6 1 18 1 8 2 0 0 0 0 0 0 -8.500390 -5.294460 11.120000 1XA 0 -0.15000 -0.15000 COMW C6 7
2 7 2 19 1 9 1 0 0 0 0 0 0 -7.985240 -4.037510 11.450700 1XA 0 -0.15000 -0.15000 COMW C7 8
2 1 1 8 1 10 2 0 0 0 0 0 0 -8.217480 -3.561260 12.746900 1XA 0 -0.15160 -0.15160 COMW C8 9
2 4 1 5 1 9 2 0 0 0 0 0 0 -8.933820 -4.284660 13.700800 1XA 0 0.00000 0.00000 COMW C9 10
3 2 1 4 1 21 1 20 1 0 0 0 0 -9.664030 -3.850690 16.185600 1XA 0 0.45100 0.45100 COMW C10 11
3 2 1 27 1 26 1 25 1 0 0 0 0 -9.852690 -5.484180 17.936701 1XA 0 0.27000 0.27000 COMW C12 12
3 2 1 24 1 23 1 22 1 0 0 0 0 -7.682470 -4.667610 17.334600 1XA 0 0.27000 0.27000 COMW C13 13
43 1 1 0 0 0 0 0 0 0 0 0 0 -7.294840 -1.661600 12.881200 1XA 0 0.27000 0.27000 COMW H14 14
41 3 1 0 0 0 0 0 0 0 0 0 0 -8.086130 -1.465220 15.249100 1XA 0 0.15000 0.15000 COMW H15 15
41 5 1 0 0 0 0 0 0 0 0 0 0 -9.988140 -6.144420 14.066900 1XA 0 0.15000 0.15000 COMW H16 16
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41 8 1 0 0 0 0 0 0 0 0 0 0 -7.424940 -3.458220 10.724600 1XA 0 0.15000 0.15000 COMW H19 19
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25 2 1 3 1 11 1 0 0 0 0 0 0 -9.126260 -5.542710 13.481600 1XA 0 -0.58510 -0.58510 UNCH N1 1
3 1 1 23 1 24 1 25 1 0 0 0 0 -9.304800 -5.189040 12.077900 1XA 0 0.30010 0.30010 UNCH C1 2
2 1 1 4 2 5 1 0 0 0 0 0 0 -10.275800 -5.898410 14.177800 1XA 0 0.69000 0.69000 UNCH C2 3
15 3 2 0 0 0 0 0 0 0 0 0 0 -11.385200 -5.790510 13.654400 1XA 0 -0.57000 -0.57000 UNCH O2 4
25 3 1 6 1 7 1 0 0 0 0 0 0 -10.107400 -6.379700 15.474000 1XA 0 -0.42010 -0.42010 UNCH N3 5
3 5 1 26 1 27 1 28 1 0 0 0 0 -11.309300 -6.793470 16.181700 1XA 0 0.30010 0.30010 UNCH C3 6
2 5 1 8 2 9 1 0 0 0 0 0 0 -8.894870 -6.597780 16.147699 1XA 0 0.57700 0.57700 UNCH C4 7
15 7 2 0 0 0 0 0 0 0 0 0 0 -8.859640 -7.219890 17.218500 1XA 0 -0.57000 -0.57000 UNCH O4 8
3 7 1 10 1 11 1 20 1 0 0 0 0 -7.622530 -6.046910 15.469800 1XA 0 0.35100 0.35100 UNCH C5 9
56 9 1 0 0 0 0 0 0 0 0 0 0 -6.584060 -6.884350 15.750900 1XA 0 -0.29800 -0.29800 UNCH F5 10
3 1 1 9 1 22 1 29 1 0 0 0 0 -7.744130 -5.751580 13.964200 1XA 0 0.22500 0.22500 UNCH C6 11
25 13 1 14 1 22 1 0 0 0 0 0 0 -7.213070 -3.258170 13.498500 1XA 0 -0.58510 -0.58510 UNCH N1_ 12
3 12 1 30 1 31 1 32 1 0 0 0 0 -6.401230 -2.913510 12.339300 1XA 0 0.30010 0.30010 UNCH C1_ 13
2 12 1 15 2 16 1 0 0 0 0 0 0 -8.140660 -2.322920 13.935400 1XA 0 0.69000 0.69000 UNCH C2_ 14
15 14 2 0 0 0 0 0 0 0 0 0 0 -8.319480 -1.270460 13.321900 1XA 0 -0.57000 -0.57000 UNCH O2_ 15
25 14 1 17 1 18 1 0 0 0 0 0 0 -8.848620 -2.636230 15.093100 1XA 0 -0.42010 -0.42010 UNCH N3_ 16
3 16 1 33 1 34 1 35 1 0 0 0 0 -9.928080 -1.733990 15.459700 1XA 0 0.30010 0.30010 UNCH C3_ 17
2 16 1 19 2 20 1 0 0 0 0 0 0 -8.503060 -3.611940 16.037800 1XA 0 0.57700 0.57700 UNCH C4_ 18
15 18 2 0 0 0 0 0 0 0 0 0 0 -9.133920 -3.732750 17.097000 1XA 0 -0.57000 -0.57000 UNCH O4_ 19
3 9 1 18 1 21 1 22 1 0 0 0 0 -7.305200 -4.528990 15.687700 1XA 0 0.35100 0.35100 UNCH C5_ 20
56 20 1 0 0 0 0 0 0 0 0 0 0 -6.302920 -4.266110 16.568001 1XA 0 -0.29800 -0.29800 UNCH F5_ 21
3 11 1 12 1 20 1 36 1 0 0 0 0 -6.869320 -4.496100 14.219300 1XA 0 0.22500 0.22500 UNCH C6_ 22
41 2 1 0 0 0 0 0 0 0 0 0 0 -9.892460 -4.268280 12.015100 1XA 0 0.00000 0.00000 UNCH H11 23
41 2 1 0 0 0 0 0 0 0 0 0 0 -9.844520 -5.992870 11.567200 1XA 0 0.00000 0.00000 UNCH H12 24
41 2 1 0 0 0 0 0 0 0 0 0 0 -8.338800 -5.044510 11.588300 1XA 0 0.00000 0.00000 UNCH H13 25
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41 6 1 0 0 0 0 0 0 0 0 0 0 -11.211900 -6.600540 17.254801 1XA 0 0.00000 0.00000 UNCH H33 28
41 11 1 0 0 0 0 0 0 0 0 0 0 -7.241820 -6.503320 13.342200 1XA 0 0.00000 0.00000 UNCH H6 29
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41 13 1 0 0 0 0 0 0 0 0 0 0 -7.007110 -2.403630 11.584500 1XA 0 0.00000 0.00000 UNCH H15 31
41 13 1 0 0 0 0 0 0 0 0 0 0 -5.977330 -3.819920 11.897800 1XA 0 0.00000 0.00000 UNCH H16 32
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41 17 1 0 0 0 0 0 0 0 0 0 0 -9.520350 -0.955070 16.111900 1XA 0 0.00000 0.00000 UNCH H35 34
41 17 1 0 0 0 0 0 0 0 0 0 0 -10.715500 -2.270540 15.997900 1XA 0 0.00000 0.00000 UNCH H36 35
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49 2 2 0 0 0 0 0 0 0 0 0 0 -7.628260 -2.762600 15.525700 1XA 0 -0.38000 -0.38000 CONF S1 1
2 1 2 5 1 4 1 0 0 0 0 0 0 -8.331920 -4.138680 14.937600 1XA 0 0.59000 0.59000 CONF C1 2
3 8 1 7 1 6 1 4 1 0 0 0 0 -9.647480 -3.033860 13.209300 1XA 0 0.28000 0.28000 CONF C2 3
16 2 1 3 1 0 0 0 0 0 0 0 0 -9.214770 -4.210270 13.916800 1XA 0 -0.43000 -0.43000 CONF O1 4
25 2 1 10 1 9 1 0 0 0 0 0 0 -8.077900 -5.366600 15.444800 1XA 0 -0.80000 -0.80000 CONF N1 5
41 3 1 0 0 0 0 0 0 0 0 0 0 -8.800100 -2.548500 12.716400 1XA 0 0.00000 0.00000 CONF H1 6
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41 3 1 0 0 0 0 0 0 0 0 0 0 -10.353500 -3.354390 12.437900 1XA 0 0.00000 0.00000 CONF H3 8
43 5 1 0 0 0 0 0 0 0 0 0 0 -8.533120 -6.177520 15.050700 1XA 0 0.37000 0.37000 CONF H4 9
43 5 1 0 0 0 0 0 0 0 0 0 0 -7.434890 -5.477780 16.216200 1XA 0 0.37000 0.37000 CONF H5 10
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32 3 1 5 1 6 1 7 1 0 0 0 0 -9.664270 -3.786810 15.299800 1XA 0 -1.01200 -1.01200 CONL N1 1
32 4 1 5 1 8 1 9 1 0 0 0 0 -8.457010 -4.967910 13.552400 1XA 0 -1.01200 -1.01200 CONL N2 2
3 1 1 4 1 10 1 11 1 0 0 0 0 -10.637000 -4.700490 14.553700 1XA 0 0.50300 0.50300 CONL C1 3
3 2 1 3 1 12 1 13 1 0 0 0 0 -9.739440 -5.737620 13.894300 1XA 0 0.50300 0.50300 CONL C2 4
3 1 1 2 1 14 1 15 1 0 0 0 0 -8.403940 -3.778240 14.479200 1XA 0 1.00600 1.00600 CONL C3 5
3 1 1 16 1 17 1 18 1 0 0 0 0 -9.390540 -4.314530 16.709700 1XA 0 0.50300 0.50300 CONL C5 6
3 1 1 19 1 20 1 21 1 0 0 0 0 -10.242700 -2.379990 15.433300 1XA 0 0.50300 0.50300 CONL C6 7
3 2 1 22 1 23 1 24 1 0 0 0 0 -8.489600 -4.502800 12.093300 1XA 0 0.50300 0.50300 CONL C7 8
3 2 1 25 1 26 1 27 1 0 0 0 0 -7.230500 -5.858680 13.730400 1XA 0 0.50300 0.50300 CONL C8 9
41 3 1 0 0 0 0 0 0 0 0 0 0 -11.150700 -4.097070 13.797000 1XA 0 0.00000 0.00000 CONL H1 10
41 3 1 0 0 0 0 0 0 0 0 0 0 -11.364500 -5.121730 15.253700 1XA 0 0.00000 0.00000 CONL H2 11
41 4 1 0 0 0 0 0 0 0 0 0 0 -9.478150 -6.532240 14.601600 1XA 0 0.00000 0.00000 CONL H3 12
41 4 1 0 0 0 0 0 0 0 0 0 0 -10.165500 -6.177290 12.987500 1XA 0 0.00000 0.00000 CONL H4 13
41 5 1 0 0 0 0 0 0 0 0 0 0 -8.361090 -2.858370 13.884800 1XA 0 0.00000 0.00000 CONL H5 14
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.529180 -3.841630 15.136600 1XA 0 0.00000 0.00000 CONL H6 15
41 6 1 0 0 0 0 0 0 0 0 0 0 -10.337700 -4.343100 17.256300 1XA 0 0.00000 0.00000 CONL H9 16
41 6 1 0 0 0 0 0 0 0 0 0 0 -8.685190 -3.637090 17.200300 1XA 0 0.00000 0.00000 CONL H10 17
41 6 1 0 0 0 0 0 0 0 0 0 0 -8.963800 -5.318100 16.631701 1XA 0 0.00000 0.00000 CONL H11 18
41 7 1 0 0 0 0 0 0 0 0 0 0 -9.507280 -1.753810 15.946900 1XA 0 0.00000 0.00000 CONL H12 19
41 7 1 0 0 0 0 0 0 0 0 0 0 -11.170400 -2.444810 16.009199 1XA 0 0.00000 0.00000 CONL H13 20
41 7 1 0 0 0 0 0 0 0 0 0 0 -10.443400 -1.988910 14.431300 1XA 0 0.00000 0.00000 CONL H14 21
41 8 1 0 0 0 0 0 0 0 0 0 0 -9.376380 -3.878540 11.949800 1XA 0 0.00000 0.00000 CONL H15 22
41 8 1 0 0 0 0 0 0 0 0 0 0 -8.536220 -5.387130 11.451000 1XA 0 0.00000 0.00000 CONL H16 23
41 8 1 0 0 0 0 0 0 0 0 0 0 -7.578530 -3.930710 11.894000 1XA 0 0.00000 0.00000 CONL H17 24
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.185240 -6.180710 14.775000 1XA 0 0.00000 0.00000 CONL H18 25
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.341320 -5.276200 13.471800 1XA 0 0.00000 0.00000 CONL H19 26
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.335650 -6.722950 13.068200 1XA 0 0.00000 0.00000 CONL H20 27
23 [CORDOC,23,23,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 3 1 4 1 12 2 13 2 0 0 0 0 -9.514570 -2.863580 12.636300 1XA 0 1.08960 1.08960 CORD S1 1
57 4 1 0 0 0 0 0 0 0 0 0 0 -7.435440 -0.847718 13.073300 1XA 0 -0.29000 -0.29000 CORD CL1 2
3 1 1 15 1 16 1 17 1 0 0 0 0 -9.376150 -2.150430 11.011100 1XA 0 0.10520 0.10520 CORD C1 3
3 1 1 2 1 5 1 18 1 0 0 0 0 -7.967420 -2.508230 13.463100 1XA 0 0.45620 0.45620 CORD C2 4
2 4 1 6 1 14 2 0 0 0 0 0 0 -8.127910 -2.672280 14.959800 1XA 0 0.42280 0.42280 CORD C3 5
2 5 1 7 2 11 1 0 0 0 0 0 0 -8.439120 -4.017030 15.525000 1XA 0 0.08620 0.08620 CORD C4 6
2 6 2 8 1 19 1 0 0 0 0 0 0 -7.983550 -5.203880 14.940500 1XA 0 -0.15000 -0.15000 CORD C5 7
2 7 1 9 2 20 1 0 0 0 0 0 0 -8.296890 -6.433960 15.525800 1XA 0 -0.15000 -0.15000 CORD C6 8
2 8 2 10 1 21 1 0 0 0 0 0 0 -9.052300 -6.483520 16.696699 1XA 0 -0.15000 -0.15000 CORD C7 9
2 9 1 11 2 22 1 0 0 0 0 0 0 -9.494820 -5.303890 17.291000 1XA 0 -0.15000 -0.15000 CORD C8 10
2 6 1 10 2 23 1 0 0 0 0 0 0 -9.186120 -4.073380 16.709999 1XA 0 -0.15000 -0.15000 CORD C9 11
15 1 2 0 0 0 0 0 0 0 0 0 0 -9.573060 -4.301140 12.424700 1XA 0 -0.65000 -0.65000 CORD O1 12
15 1 2 0 0 0 0 0 0 0 0 0 0 -10.605100 -2.186170 13.311500 1XA 0 -0.65000 -0.65000 CORD O2 13
15 5 2 0 0 0 0 0 0 0 0 0 0 -7.979170 -1.751100 15.764900 1XA 0 -0.57000 -0.57000 CORD O3 14
41 3 1 0 0 0 0 0 0 0 0 0 0 -9.420550 -1.062800 11.077700 1XA 0 0.00000 0.00000 CORD H11 15
41 3 1 0 0 0 0 0 0 0 0 0 0 -10.221500 -2.507510 10.417800 1XA 0 0.00000 0.00000 CORD H12 16
41 3 1 0 0 0 0 0 0 0 0 0 0 -8.442440 -2.484770 10.555200 1XA 0 0.00000 0.00000 CORD H13 17
41 4 1 0 0 0 0 0 0 0 0 0 0 -7.197030 -3.176550 13.074000 1XA 0 0.00000 0.00000 CORD H21 18
41 7 1 0 0 0 0 0 0 0 0 0 0 -7.384060 -5.211410 14.036000 1XA 0 0.15000 0.15000 CORD H51 19
41 8 1 0 0 0 0 0 0 0 0 0 0 -7.952730 -7.357930 15.066400 1XA 0 0.15000 0.15000 CORD H61 20
41 9 1 0 0 0 0 0 0 0 0 0 0 -9.295760 -7.442900 17.147100 1XA 0 0.15000 0.15000 CORD H71 21
41 10 1 0 0 0 0 0 0 0 0 0 0 -10.081100 -5.340200 18.205999 1XA 0 0.15000 0.15000 CORD H81 22
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.535870 -3.157410 17.184000 1XA 0 0.15000 0.15000 CORD H91 23
8 [CORWUB10,8,8,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 3 2 0 0 0 0 0 0 0 0 0 0 -9.000490 -2.631000 13.299000 1XA 0 -0.75000 -0.75000 CORW S13 1
51 3 1 0 0 0 0 0 0 0 0 0 0 -11.094800 -4.194760 14.741600 1XA 0 -0.75000 -0.75000 CORW S23 2
2 1 2 2 1 4 1 0 0 0 0 0 0 -9.486520 -3.938180 14.256000 1XA 0 0.79600 0.79600 CORW C13 3
25 3 1 7 1 5 1 0 0 0 0 0 0 -8.677300 -4.883300 14.719400 1XA 0 -0.72600 -0.72600 CORW N13 4
2 4 1 8 1 6 2 0 0 0 0 0 0 -7.337380 -4.963290 14.508400 1XA 0 0.57000 0.57000 CORW C23 5
15 5 2 0 0 0 0 0 0 0 0 0 0 -6.653590 -5.873230 14.973400 1XA 0 -0.57000 -0.57000 CORW O13 6
43 4 1 0 0 0 0 0 0 0 0 0 0 -9.055610 -5.627720 15.284400 1XA 0 0.37000 0.37000 CORW H13 7
41 5 1 0 0 0 0 0 0 0 0 0 0 -6.883470 -4.171380 13.897200 1XA 0 0.06000 0.06000 CORW H23 8
18 [COSFAR,18,18,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 9 1 10 1 0 0 0 0 0 0 0 0 -7.677950 -6.130970 12.837600 1XA 0 -0.24250 -0.24250 UNCH S1 1
15 10 2 0 0 0 0 0 0 0 0 0 0 -5.415910 -4.929030 13.490000 1XA 0 -0.57000 -0.57000 UNCH O1 2
25 8 1 10 1 11 1 0 0 0 0 0 0 -7.407570 -4.000930 14.295500 1XA 0 -0.47710 -0.47710 UNCH N1 3
2 5 2 9 1 12 1 0 0 0 0 0 0 -10.446900 -5.753120 13.323600 1XA 0 -0.15000 -0.15000 UNCH C1 4
2 4 2 6 1 13 1 0 0 0 0 0 0 -11.449000 -4.994510 13.931500 1XA 0 -0.15000 -0.15000 UNCH C2 5
2 5 1 7 2 14 1 0 0 0 0 0 0 -11.121100 -3.862270 14.691600 1XA 0 -0.15000 -0.15000 UNCH C3 6
2 6 2 8 1 15 1 0 0 0 0 0 0 -9.787290 -3.474000 14.853700 1XA 0 -0.15000 -0.15000 UNCH C4 7
2 3 1 7 1 9 2 0 0 0 0 0 0 -8.796440 -4.233580 14.246000 1XA 0 0.11700 0.11700 UNCH C5 8
2 1 1 4 1 8 2 0 0 0 0 0 0 -9.129000 -5.358880 13.491100 1XA 0 0.10150 0.10150 UNCH C6 9
2 1 1 2 2 3 1 0 0 0 0 0 0 -6.632180 -4.915580 13.597500 1XA 0 0.77100 0.77100 UNCH C7 10
3 3 1 16 1 17 1 18 1 0 0 0 0 -6.828470 -2.895320 15.016800 1XA 0 0.30010 0.30010 UNCH C8 11
41 4 1 0 0 0 0 0 0 0 0 0 0 -10.697600 -6.629880 12.734800 1XA 0 0.15000 0.15000 UNCH H1 12
41 5 1 0 0 0 0 0 0 0 0 0 0 -12.491500 -5.283270 13.815100 1XA 0 0.15000 0.15000 UNCH H2 13
41 6 1 0 0 0 0 0 0 0 0 0 0 -11.913500 -3.281320 15.159200 1XA 0 0.15000 0.15000 UNCH H3 14
41 7 1 0 0 0 0 0 0 0 0 0 0 -9.552860 -2.595650 15.444900 1XA 0 0.15000 0.15000 UNCH H4 15
41 11 1 0 0 0 0 0 0 0 0 0 0 -7.209960 -1.955070 14.607400 1XA 0 0.00000 0.00000 UNCH H11 16
41 11 1 0 0 0 0 0 0 0 0 0 0 -7.091410 -2.975270 16.075899 1XA 0 0.00000 0.00000 UNCH H22 17
41 11 1 0 0 0 0 0 0 0 0 0 0 -5.738390 -2.897840 14.927100 1XA 0 0.00000 0.00000 UNCH H33 18
16 [COSSEI,16,16,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 3 2 0 0 0 0 0 0 0 0 0 0 -11.311800 -6.039630 15.836400 1XA 0 -0.75000 -0.75000 CHGB S1 1
51 3 1 0 0 0 0 0 0 0 0 0 0 -10.951100 -4.061990 18.048100 1XA 0 -0.75000 -0.75000 CHGB S2 2
2 1 2 2 1 4 1 0 0 0 0 0 0 -10.738100 -4.571170 16.440599 1XA 0 0.79600 0.79600 CHGB C1 3
25 3 1 6 1 5 1 0 0 0 0 0 0 -10.089300 -3.661400 15.716000 1XA 0 -0.96610 -0.96610 CHGB N1 4
3 4 1 9 1 8 1 7 1 0 0 0 0 -9.549110 -3.846540 14.375700 1XA 0 0.30010 0.30010 CHGB C2 5
43 4 1 0 0 0 0 0 0 0 0 0 0 -9.753220 -2.838960 16.197001 1XA 0 0.37000 0.37000 CHGB H1 6
41 5 1 0 0 0 0 0 0 0 0 0 0 -9.389900 -2.835880 13.983700 1XA 0 0.00000 0.00000 CHGB H21 7
41 5 1 0 0 0 0 0 0 0 0 0 0 -10.302800 -4.300030 13.722600 1XA 0 0.00000 0.00000 CHGB H22 8
3 5 1 12 1 11 1 10 1 0 0 0 0 -8.218890 -4.620860 14.334300 1XA 0 0.30010 0.30010 CHGB C2A 9
25 9 1 14 1 13 1 0 0 0 0 0 0 -7.678720 -4.806000 12.994000 1XA 0 -0.96610 -0.96610 CHGB N1A 10
41 9 1 0 0 0 0 0 0 0 0 0 0 -8.378100 -5.631520 14.726300 1XA 0 0.00000 0.00000 CHGB H21A 11
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.465220 -4.167370 14.987400 1XA 0 0.00000 0.00000 CHGB H22A 12
2 10 1 16 1 15 2 0 0 0 0 0 0 -7.029900 -3.896230 12.269400 1XA 0 0.79600 0.79600 CHGB C1A 13
43 10 1 0 0 0 0 0 0 0 0 0 0 -8.014780 -5.628440 12.513000 1XA 0 0.37000 0.37000 CHGB H1A 14
49 13 2 0 0 0 0 0 0 0 0 0 0 -6.456150 -2.427770 12.873600 1XA 0 -0.75000 -0.75000 CHGB S1A 15
51 13 1 0 0 0 0 0 0 0 0 0 0 -6.816910 -4.405410 10.661900 1XA 0 -0.75000 -0.75000 CHGB S2A 16
24 [COSWIQ,24,24,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 8 1 2 2 0 0 0 0 0 0 0 0 -8.689130 -4.162800 14.927900 1XA 0 -0.62100 -0.62100 COSW N1 1
2 1 2 9 1 3 1 0 0 0 0 0 0 -9.966180 -4.170890 15.083900 1XA 0 0.58560 0.58560 COSW C2 2
2 2 1 15 1 4 2 0 0 0 0 0 0 -10.940600 -3.085500 15.326100 1XA 0 -0.13560 -0.13560 COSW C3 3
2 3 2 16 1 5 1 0 0 0 0 0 0 -11.133900 -2.092940 14.444300 1XA 0 -0.15000 -0.15000 COSW C4 4
2 4 1 11 1 6 2 0 0 0 0 0 0 -10.416800 -1.901610 13.191800 1XA 0 0.06500 0.06500 COSW C5 5
2 5 2 17 1 7 1 0 0 0 0 0 0 -9.074210 -1.832350 13.097900 1XA 0 -0.15000 -0.15000 COSW C6 6
2 6 1 18 1 8 2 0 0 0 0 0 0 -8.141070 -1.930720 14.203300 1XA 0 -0.15000 -0.15000 COSW C7 7
2 1 1 7 2 13 1 0 0 0 0 0 0 -8.009340 -2.976610 15.041700 1XA 0 0.17100 0.17100 COSW C8 8
16 2 1 10 1 0 0 0 0 0 0 0 0 -10.695000 -5.320490 15.046800 1XA 0 -0.43000 -0.43000 COSW O9 9
3 9 1 21 1 20 1 19 1 0 0 0 0 -9.959890 -6.521860 14.790200 1XA 0 0.28000 0.28000 COSW C10 10
1 5 1 12 3 0 0 0 0 0 0 0 0 -11.208000 -1.688820 12.018000 1XA 0 0.49210 0.49210 COSW C11 11
24 11 3 0 0 0 0 0 0 0 0 0 0 -11.849400 -1.500280 11.069200 1XA 0 -0.55710 -0.55710 COSW N12 12
2 8 1 22 1 14 2 0 0 0 0 0 0 -7.004900 -2.935210 16.098801 1XA 0 -0.15000 -0.15000 COSW C13 13
2 13 2 24 1 23 1 0 0 0 0 0 0 -6.750500 -3.911470 16.982100 1XA 0 -0.30000 -0.30000 COSW C14 14
41 3 1 0 0 0 0 0 0 0 0 0 0 -11.550900 -3.182700 16.215799 1XA 0 0.15000 0.15000 COSW H3 15
41 4 1 0 0 0 0 0 0 0 0 0 0 -11.923600 -1.370940 14.647500 1XA 0 0.15000 0.15000 COSW H4 16
41 6 1 0 0 0 0 0 0 0 0 0 0 -8.607910 -1.623810 12.135100 1XA 0 0.15000 0.15000 COSW H6 17
41 7 1 0 0 0 0 0 0 0 0 0 0 -7.489120 -1.066170 14.311900 1XA 0 0.15000 0.15000 COSW H7 18
41 10 1 0 0 0 0 0 0 0 0 0 0 -10.670200 -7.353080 14.773100 1XA 0 0.00000 0.00000 COSW H101 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.233930 -6.704520 15.588500 1XA 0 0.00000 0.00000 COSW H102 20
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.466650 -6.469530 13.814600 1XA 0 0.00000 0.00000 COSW H103 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -6.412760 -2.025120 16.171700 1XA 0 0.15000 0.15000 COSW H13 22
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.293760 -4.851170 16.970501 1XA 0 0.15000 0.15000 COSW H1 23
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.979340 -3.790470 17.735201 1XA 0 0.15000 0.15000 COSW H2 24
20 [COTMON,20,20,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
26 2 1 13 1 14 1 0 0 0 0 0 0 -7.241260 -4.935670 17.608500 1XA 0 -0.72900 -0.72900 UNCH N1 1
25 1 1 3 1 15 1 0 0 0 0 0 0 -7.460740 -3.568480 17.334200 1XA 0 -0.42100 -0.42100 UNCH N2 2
2 2 1 4 1 12 2 0 0 0 0 0 0 -8.082550 -3.146940 16.160801 1XA 0 0.50000 0.50000 UNCH C3 3
25 3 1 5 1 16 1 0 0 0 0 0 0 -8.427260 -4.211140 15.361300 1XA 0 -0.54700 -0.54700 UNCH N4 4
2 4 1 6 2 10 1 0 0 0 0 0 0 -9.055000 -4.349760 14.111900 1XA 0 0.11700 0.11700 UNCH C5 5
2 5 2 7 1 17 1 0 0 0 0 0 0 -9.215980 -5.664050 13.644700 1XA 0 -0.15000 -0.15000 UNCH C6 6
2 6 1 8 2 18 1 0 0 0 0 0 0 -9.827070 -5.924700 12.414000 1XA 0 -0.15000 -0.15000 UNCH C7 7
2 7 2 9 1 11 1 0 0 0 0 0 0 -10.284400 -4.867160 11.636800 1XA 0 0.17700 0.17700 UNCH C8 8
2 8 1 10 2 19 1 0 0 0 0 0 0 -10.133600 -3.558460 12.083400 1XA 0 -0.15000 -0.15000 UNCH C9 9
2 5 1 9 2 20 1 0 0 0 0 0 0 -9.520480 -3.302140 13.317600 1XA 0 -0.15000 -0.15000 UNCH C10 10
57 8 1 0 0 0 0 0 0 0 0 0 0 -11.037100 -5.177550 10.122300 1XA 0 -0.17700 -0.17700 UNCH CL1 11
49 3 2 0 0 0 0 0 0 0 0 0 0 -8.284770 -1.508770 15.951500 1XA 0 -0.38000 -0.38000 UNCH S1 12
43 1 1 0 0 0 0 0 0 0 0 0 0 -7.691150 -5.155790 18.502300 1XA 0 0.36000 0.36000 UNCH H11 13
43 1 1 0 0 0 0 0 0 0 0 0 0 -6.237320 -5.070840 17.762400 1XA 0 0.36000 0.36000 UNCH H21 14
43 2 1 0 0 0 0 0 0 0 0 0 0 -7.171090 -2.839480 17.987000 1XA 0 0.37000 0.37000 UNCH H2 15
43 4 1 0 0 0 0 0 0 0 0 0 0 -8.139660 -5.068790 15.827900 1XA 0 0.37000 0.37000 UNCH H4 16
41 6 1 0 0 0 0 0 0 0 0 0 0 -8.865590 -6.506770 14.236400 1XA 0 0.15000 0.15000 UNCH H6 17
41 7 1 0 0 0 0 0 0 0 0 0 0 -9.940450 -6.950070 12.073600 1XA 0 0.15000 0.15000 UNCH H7 18
41 9 1 0 0 0 0 0 0 0 0 0 0 -10.488800 -2.726330 11.481000 1XA 0 0.15000 0.15000 UNCH H9 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.430150 -2.265590 13.614100 1XA 0 0.15000 0.15000 UNCH H10 20
15 [COTPEG,15,15,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
15 6 2 0 0 0 0 0 0 0 0 0 0 -0.115996 0.690766 9.640520 1XA 0 -0.90000 -0.90000 CHGB O1 1
18 6 1 0 0 0 0 0 0 0 0 0 0 0.944524 2.410390 10.684000 1XA 0 -0.90000 -0.90000 CHGB O2 2
15 7 2 0 0 0 0 0 0 0 0 0 0 -0.908865 -0.166003 12.097300 1XA 0 -0.57000 -0.57000 CHGB O3 3
15 10 2 0 0 0 0 0 0 0 0 0 0 0.747765 2.797220 15.818000 1XA 0 -0.57000 -0.57000 CHGB O4 4
16 10 1 11 1 0 0 0 0 0 0 0 0 -0.401014 1.226320 16.890499 1XA 0 -0.65000 -0.65000 CHGB O5 5
2 1 2 2 1 7 1 0 0 0 0 0 0 0.236762 1.352610 10.665800 1XA 0 0.94700 0.94700 CHGB C1 6
2 3 2 6 1 8 1 0 0 0 0 0 0 -0.219825 0.854315 12.043500 1XA 0 0.36200 0.36200 CHGB C2 7
3 7 1 9 1 12 1 13 1 0 0 0 0 0.201834 1.644280 13.260300 1XA 0 0.06100 0.06100 CHGB C3 8
3 8 1 10 1 14 1 15 1 0 0 0 0 -0.335879 1.011590 14.536700 1XA 0 0.06100 0.06100 CHGB C4 9
2 4 2 5 1 9 1 0 0 0 0 0 0 0.073649 1.783810 15.756000 1XA 0 0.65900 0.65900 CHGB C5 10
42 5 1 0 0 0 0 0 0 0 0 0 0 -0.062431 1.823640 17.588200 1XA 0 0.50000 0.50000 CHGB H5 11
41 8 1 0 0 0 0 0 0 0 0 0 0 1.296630 1.680250 13.290600 1XA 0 0.00000 0.00000 CHGB H31 12
41 8 1 0 0 0 0 0 0 0 0 0 0 -0.176114 2.667920 13.159700 1XA 0 0.00000 0.00000 CHGB H32 13
41 9 1 0 0 0 0 0 0 0 0 0 0 -1.431010 0.976821 14.505500 1XA 0 0.00000 0.00000 CHGB H41 14
41 9 1 0 0 0 0 0 0 0 0 0 0 0.043402 -0.011961 14.636500 1XA 0 0.00000 0.00000 CHGB H42 15
25 [COTRIM,25,25,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
18 3 1 0 0 0 0 0 0 0 0 0 0 -8.052500 -4.745100 8.696200 1XA 0 -0.75000 -0.75000 COTR O11 1
18 4 1 0 0 0 0 0 0 0 0 0 0 -10.621800 -3.592840 14.276500 1XA 0 -0.63300 -0.63300 COTR O21 2
31 1 1 10 2 6 1 0 0 0 0 0 0 -8.363420 -4.572410 9.911370 1XA 0 0.57100 0.57100 COTR N11 3
31 2 1 8 1 5 2 0 0 0 0 0 0 -9.432060 -3.983070 14.019500 1XA 0 0.86800 0.86800 COTR N21 4
25 4 2 11 1 0 0 0 0 0 0 0 0 -8.525450 -4.215080 14.884700 1XA 0 -0.38600 -0.38600 COTR N31 5
2 3 1 17 1 7 2 0 0 0 0 0 0 -9.632440 -4.151110 10.267500 1XA 0 -0.06050 -0.06050 COTR C21 6
2 6 2 18 1 8 1 0 0 0 0 0 0 -9.989470 -3.956520 11.602800 1XA 0 -0.15000 -0.15000 COTR C31 7
2 4 1 7 1 9 2 0 0 0 0 0 0 -9.047660 -4.190790 12.611200 1XA 0 -0.02800 -0.02800 COTR C41 8
2 8 2 19 1 10 1 0 0 0 0 0 0 -7.760580 -4.617180 12.264500 1XA 0 -0.15000 -0.15000 COTR C51 9
2 3 2 9 1 20 1 0 0 0 0 0 0 -7.439800 -4.801070 10.917900 1XA 0 -0.06050 -0.06050 COTR C61 10
2 5 1 16 1 12 2 0 0 0 0 0 0 -8.851000 -4.029330 16.237200 1XA 0 0.17900 0.17900 COTR C71 11
2 11 2 21 1 13 1 0 0 0 0 0 0 -8.621800 -2.796300 16.856899 1XA 0 -0.15000 -0.15000 COTR C81 12
2 12 1 22 1 14 2 0 0 0 0 0 0 -8.907060 -2.622160 18.212799 1XA 0 -0.15000 -0.15000 COTR C91 13
2 13 2 23 1 15 1 0 0 0 0 0 0 -9.412980 -3.684760 18.959999 1XA 0 -0.15000 -0.15000 COTR C101 14
2 14 1 24 1 16 2 0 0 0 0 0 0 -9.630620 -4.921410 18.354401 1XA 0 -0.15000 -0.15000 COTR C111 15
2 11 1 15 2 25 1 0 0 0 0 0 0 -9.344870 -5.094000 16.998501 1XA 0 -0.15000 -0.15000 COTR C121 16
41 6 1 0 0 0 0 0 0 0 0 0 0 -10.286500 -3.997320 9.422580 1XA 0 0.15000 0.15000 COTR H21 17
41 7 1 0 0 0 0 0 0 0 0 0 0 -10.998600 -3.624330 11.840100 1XA 0 0.15000 0.15000 COTR H31 18
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.998040 -4.810910 13.015100 1XA 0 0.15000 0.15000 COTR H51 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.478610 -5.126290 10.548700 1XA 0 0.15000 0.15000 COTR H61 20
41 12 1 0 0 0 0 0 0 0 0 0 0 -8.224740 -1.964150 16.282101 1XA 0 0.15000 0.15000 COTR H81 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -8.735630 -1.658110 18.684799 1XA 0 0.15000 0.15000 COTR H91 22
41 14 1 0 0 0 0 0 0 0 0 0 0 -9.637800 -3.549020 20.015200 1XA 0 0.15000 0.15000 COTR H101 23
41 15 1 0 0 0 0 0 0 0 0 0 0 -10.023600 -5.750790 18.936899 1XA 0 0.15000 0.15000 COTR H111 24
41 16 1 0 0 0 0 0 0 0 0 0 0 -9.514250 -6.061790 16.534500 1XA 0 0.15000 0.15000 COTR H121 25
17 [COVHUQ,17,17,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
3 4 1 7 1 8 1 9 1 0 0 0 0 -9.963280 -2.655410 19.029900 1XA 0 0.23000 0.23000 UNCH C1 1
2 3 2 4 1 5 1 0 0 0 0 0 0 -8.996710 -3.995200 16.876301 1XA 0 0.85200 0.85200 UNCH C3 2
15 2 2 0 0 0 0 0 0 0 0 0 0 -10.020700 -4.641750 17.047501 1XA 0 -0.57000 -0.57000 UNCH O3 3
49 1 1 2 1 0 0 0 0 0 0 0 0 -8.552090 -2.640330 17.904900 1XA 0 -0.37100 -0.37100 UNCH S2 4
49 2 1 6 1 0 0 0 0 0 0 0 0 -7.825330 -4.319550 15.604700 1XA 0 -0.14100 -0.14100 UNCH S4 5
49 5 1 10 1 0 0 0 0 0 0 0 0 -8.852320 -5.589800 14.358600 1XA 0 0.00000 0.00000 UNCH S5 6
41 1 1 0 0 0 0 0 0 0 0 0 0 -9.848860 -1.850360 19.760799 1XA 0 0.00000 0.00000 UNCH H11 7
41 1 1 0 0 0 0 0 0 0 0 0 0 -10.895400 -2.493350 18.481701 1XA 0 0.00000 0.00000 UNCH H12 8
41 1 1 0 0 0 0 0 0 0 0 0 0 -10.016900 -3.605310 19.568899 1XA 0 0.00000 0.00000 UNCH H13 9
49 6 1 11 1 0 0 0 0 0 0 0 0 -9.915520 -4.361200 13.101300 1XA 0 -0.14100 -0.14100 UNCH S4B 10
2 10 1 12 2 13 1 0 0 0 0 0 0 -8.753860 -4.014620 11.826600 1XA 0 0.85200 0.85200 UNCH C3B 11
15 11 2 0 0 0 0 0 0 0 0 0 0 -7.711520 -4.632760 11.661100 1XA 0 -0.57000 -0.57000 UNCH O3B 12
49 11 1 14 1 0 0 0 0 0 0 0 0 -9.237400 -2.682600 10.785800 1XA 0 -0.37100 -0.37100 UNCH S2B 13
3 13 1 15 1 16 1 17 1 0 0 0 0 -7.826210 -2.667010 9.660750 1XA 0 0.23000 0.23000 UNCH C1B 14
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.963820 -1.872290 8.922590 1XA 0 0.00000 0.00000 UNCH H11B 15
41 14 1 0 0 0 0 0 0 0 0 0 0 -6.899230 -2.473040 10.207400 1XA 0 0.00000 0.00000 UNCH H12B 16
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.745050 -3.619820 9.130400 1XA 0 0.00000 0.00000 UNCH H13B 17
32 [COVMAB,32,32,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 2 2 3 1 0 0 0 0 0 0 0 0 -8.166530 -3.074770 13.231100 1XA 0 -0.69600 -0.69600 UNCH N2 1
2 1 2 7 1 17 1 0 0 0 0 0 0 -8.226390 -4.065820 14.043200 1XA 0 0.39000 0.39000 UNCH C1 2
3 1 1 4 1 5 1 6 1 0 0 0 0 -6.860530 -2.756190 12.623900 1XA 0 0.24600 0.24600 UNCH C3 3
3 3 1 8 1 9 1 10 1 0 0 0 0 -6.357480 -3.924700 11.767400 1XA 0 0.00000 0.00000 UNCH C4 4
3 3 1 11 1 12 1 13 1 0 0 0 0 -5.837510 -2.372410 13.700100 1XA 0 0.00000 0.00000 UNCH C5 5
3 3 1 14 1 15 1 16 1 0 0 0 0 -7.102230 -1.541400 11.713200 1XA 0 0.00000 0.00000 UNCH C6 6
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41 4 1 0 0 0 0 0 0 0 0 0 0 -6.124190 -4.805200 12.375400 1XA 0 0.00000 0.00000 UNCH H41 8
41 4 1 0 0 0 0 0 0 0 0 0 0 -5.445350 -3.651640 11.225000 1XA 0 0.00000 0.00000 UNCH H42 9
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41 5 1 0 0 0 0 0 0 0 0 0 0 -6.220810 -1.569120 14.339600 1XA 0 0.00000 0.00000 UNCH H51 11
41 5 1 0 0 0 0 0 0 0 0 0 0 -5.592790 -3.218810 14.350500 1XA 0 0.00000 0.00000 UNCH H52 12
41 5 1 0 0 0 0 0 0 0 0 0 0 -4.901030 -2.026700 13.248100 1XA 0 0.00000 0.00000 UNCH H53 13
41 6 1 0 0 0 0 0 0 0 0 0 0 -6.179880 -1.226910 11.212500 1XA 0 0.00000 0.00000 UNCH H61 14
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2 2 1 18 2 19 1 0 0 0 0 0 0 -9.541610 -4.401580 14.666800 1XA 0 0.39000 0.39000 UNCH C1B 17
25 17 2 20 1 0 0 0 0 0 0 0 0 -9.601460 -5.392630 15.478800 1XA 0 -0.69600 -0.69600 UNCH N2B 18
41 17 1 0 0 0 0 0 0 0 0 0 0 -10.381500 -3.752250 14.371200 1XA 0 0.06000 0.06000 UNCH H11B 19
3 18 1 21 1 22 1 23 1 0 0 0 0 -10.907500 -5.711200 16.086100 1XA 0 0.24600 0.24600 UNCH C3B 20
3 20 1 24 1 25 1 26 1 0 0 0 0 -11.410500 -4.542700 16.942600 1XA 0 0.00000 0.00000 UNCH C4B 21
3 20 1 27 1 28 1 29 1 0 0 0 0 -11.930500 -6.094980 15.009900 1XA 0 0.00000 0.00000 UNCH C5B 22
3 20 1 30 1 31 1 32 1 0 0 0 0 -10.665800 -6.926000 16.996700 1XA 0 0.00000 0.00000 UNCH C6B 23
41 21 1 0 0 0 0 0 0 0 0 0 0 -11.643800 -3.662190 16.334600 1XA 0 0.00000 0.00000 UNCH H41B 24
41 21 1 0 0 0 0 0 0 0 0 0 0 -12.322600 -4.815750 17.485001 1XA 0 0.00000 0.00000 UNCH H42B 25
41 21 1 0 0 0 0 0 0 0 0 0 0 -10.657000 -4.240870 17.679001 1XA 0 0.00000 0.00000 UNCH H43B 26
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41 22 1 0 0 0 0 0 0 0 0 0 0 -12.175200 -5.248580 14.359500 1XA 0 0.00000 0.00000 UNCH H52B 28
41 22 1 0 0 0 0 0 0 0 0 0 0 -12.867000 -6.440690 15.461800 1XA 0 0.00000 0.00000 UNCH H53B 29
41 23 1 0 0 0 0 0 0 0 0 0 0 -11.588100 -7.240490 17.497499 1XA 0 0.00000 0.00000 UNCH H61B 30
41 23 1 0 0 0 0 0 0 0 0 0 0 -10.284900 -7.779290 16.423500 1XA 0 0.00000 0.00000 UNCH H62B 31
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33 [COVXIU,33,33,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 2 6 1 7 1 0 0 0 0 0 0 -10.815800 -4.041500 17.646000 1XA 0 0.10000 0.10000 COVX C1 1
2 1 2 3 1 20 1 0 0 0 0 0 0 -9.790130 -3.193770 17.214500 1XA 0 -0.15000 -0.15000 COVX C2 2
2 2 1 4 2 21 1 0 0 0 0 0 0 -9.749460 -2.734300 15.895400 1XA 0 -0.15000 -0.15000 COVX C3 3
2 3 2 5 1 8 1 0 0 0 0 0 0 -10.714900 -3.170120 14.986900 1XA 0 -0.00900 -0.00900 COVX C4 4
2 4 1 6 2 22 1 0 0 0 0 0 0 -11.718600 -4.053960 15.388900 1XA 0 -0.15000 -0.15000 COVX C5 5
2 1 1 5 2 23 1 0 0 0 0 0 0 -11.747800 -4.504930 16.711201 1XA 0 -0.15000 -0.15000 COVX C6 6
25 1 1 24 1 25 1 0 0 0 0 0 0 -10.781200 -4.587780 18.934500 1XA 0 -0.90000 -0.90000 COVX N7 7
49 4 1 9 2 10 2 11 1 0 0 0 0 -10.697900 -2.576690 13.313400 1XA 0 1.44700 1.44700 COVX S8 8
15 8 2 0 0 0 0 0 0 0 0 0 0 -12.076600 -2.278320 12.974600 1XA 0 -0.65000 -0.65000 COVX O9 9
15 8 2 0 0 0 0 0 0 0 0 0 0 -9.683480 -1.552790 13.175500 1XA 0 -0.65000 -0.65000 COVX O10 10
201 8 1 12 1 26 1 0 0 0 0 0 0 -10.289700 -3.911810 12.416400 1XA 0 -0.75700 -0.75700 COVX N11 11
2 11 1 13 2 17 1 0 0 0 0 0 0 -8.943700 -4.244840 12.339400 1XA 0 0.81900 0.81900 COVX C12 12
25 12 2 14 1 0 0 0 0 0 0 0 0 -8.593220 -4.750580 11.153700 1XA 0 -0.62000 -0.62000 COVX N13 13
2 13 1 15 2 18 1 0 0 0 0 0 0 -7.335600 -5.227730 11.066800 1XA 0 0.16650 0.16650 COVX C14 14
2 14 2 16 1 27 1 0 0 0 0 0 0 -6.471960 -5.238280 12.146900 1XA 0 -0.15000 -0.15000 COVX C15 15
2 15 1 17 2 19 1 0 0 0 0 0 0 -6.962560 -4.738680 13.338800 1XA 0 0.16650 0.16650 COVX C16 16
25 12 1 16 2 0 0 0 0 0 0 0 0 -8.213740 -4.255230 13.453900 1XA 0 -0.62000 -0.62000 COVX N17 17
3 14 1 28 1 29 1 30 1 0 0 0 0 -6.892690 -5.768690 9.740720 1XA 0 0.14350 0.14350 COVX C18 18
3 16 1 31 1 32 1 33 1 0 0 0 0 -6.105910 -4.730620 14.568400 1XA 0 0.14350 0.14350 COVX C19 19
41 2 1 0 0 0 0 0 0 0 0 0 0 -9.011750 -2.880800 17.905399 1XA 0 0.15000 0.15000 COVX H2 20
41 3 1 0 0 0 0 0 0 0 0 0 0 -8.954410 -2.062300 15.581400 1XA 0 0.15000 0.15000 COVX H3 21
41 5 1 0 0 0 0 0 0 0 0 0 0 -12.467500 -4.401280 14.681600 1XA 0 0.15000 0.15000 COVX H5 22
41 6 1 0 0 0 0 0 0 0 0 0 0 -12.510500 -5.220220 17.007999 1XA 0 0.15000 0.15000 COVX H6 23
43 7 1 0 0 0 0 0 0 0 0 0 0 -10.315500 -3.997170 19.616501 1XA 0 0.40000 0.40000 COVX H71 24
43 7 1 0 0 0 0 0 0 0 0 0 0 -11.683600 -4.916210 19.264000 1XA 0 0.40000 0.40000 COVX H72 25
45 11 1 0 0 0 0 0 0 0 0 0 0 -10.767400 -3.969690 11.525600 1XA 0 0.42000 0.42000 COVX H11 26
41 15 1 0 0 0 0 0 0 0 0 0 0 -5.464450 -5.627420 12.066000 1XA 0 0.15000 0.15000 COVX H15 27
41 18 1 0 0 0 0 0 0 0 0 0 0 -7.689500 -5.675280 8.995770 1XA 0 0.00000 0.00000 COVX H181 28
41 18 1 0 0 0 0 0 0 0 0 0 0 -6.633760 -6.828120 9.832020 1XA 0 0.00000 0.00000 COVX H182 29
41 18 1 0 0 0 0 0 0 0 0 0 0 -6.021140 -5.214890 9.378060 1XA 0 0.00000 0.00000 COVX H183 30
41 19 1 0 0 0 0 0 0 0 0 0 0 -5.820770 -5.752460 14.837200 1XA 0 0.00000 0.00000 COVX H191 31
41 19 1 0 0 0 0 0 0 0 0 0 0 -6.643580 -4.292700 15.415700 1XA 0 0.00000 0.00000 COVX H192 32
41 19 1 0 0 0 0 0 0 0 0 0 0 -5.202130 -4.137970 14.396100 1XA 0 0.00000 0.00000 COVX H193 33
32 [COWTIR,32,32,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
53 2 1 3 1 4 1 7 1 0 0 0 0 -6.848370 -5.810920 14.413300 1XA 0 1.17120 1.17120 UNCH P1 1
16 1 1 17 1 0 0 0 0 0 0 0 0 -6.173220 -4.585700 13.593500 1XA 0 -0.77120 -0.77120 UNCH O1 2
18 1 1 0 0 0 0 0 0 0 0 0 0 -6.692170 -7.057780 13.607500 1XA 0 -0.95000 -0.95000 UNCH O2 3
18 1 1 0 0 0 0 0 0 0 0 0 0 -6.388020 -5.628190 15.842800 1XA 0 -0.95000 -0.95000 UNCH O3 4
16 12 1 28 1 0 0 0 0 0 0 0 0 -7.915480 -2.691660 13.606600 1XA 0 -0.53250 -0.53250 UNCH O12 5
32 7 1 8 1 19 1 20 1 0 0 0 0 -8.781610 -4.356870 15.797000 1XA 0 -0.90600 -0.90600 UNCH N1 6
3 1 1 6 1 11 1 18 1 0 0 0 0 -8.692600 -5.264570 14.558200 1XA 0 0.64650 0.64650 UNCH C1 7
3 6 1 9 1 10 1 21 1 0 0 0 0 -10.037400 -4.331980 16.561199 1XA 0 0.50300 0.50300 UNCH C2 8
3 8 1 22 1 23 1 24 1 0 0 0 0 -10.042000 -3.071920 17.418800 1XA 0 0.00000 0.00000 UNCH C3 9
3 8 1 25 1 26 1 27 1 0 0 0 0 -10.145000 -5.580590 17.427401 1XA 0 0.00000 0.00000 UNCH C4 10
2 7 1 12 2 16 1 0 0 0 0 0 0 -9.298250 -4.624140 13.336800 1XA 0 -0.14350 -0.14350 UNCH C11 11
2 5 1 11 2 13 1 0 0 0 0 0 0 -8.902280 -3.348250 12.924600 1XA 0 0.08250 0.08250 UNCH C12 12
2 12 1 14 2 29 1 0 0 0 0 0 0 -9.493020 -2.711390 11.840800 1XA 0 -0.15000 -0.15000 UNCH C13 13
2 13 2 15 1 30 1 0 0 0 0 0 0 -10.487400 -3.371280 11.122600 1XA 0 -0.15000 -0.15000 UNCH C14 14
2 14 1 16 2 31 1 0 0 0 0 0 0 -10.881300 -4.656800 11.495900 1XA 0 -0.15000 -0.15000 UNCH C15 15
2 11 1 15 2 32 1 0 0 0 0 0 0 -10.291600 -5.281480 12.598200 1XA 0 -0.15000 -0.15000 UNCH C16 16
42 2 1 0 0 0 0 0 0 0 0 0 0 -5.234260 -4.845740 13.474100 1XA 0 0.50000 0.50000 UNCH H1 17
41 7 1 0 0 0 0 0 0 0 0 0 0 -9.208200 -6.192800 14.825100 1XA 0 0.00000 0.00000 UNCH H2 18
44 6 1 0 0 0 0 0 0 0 0 0 0 -8.472960 -3.432060 15.462000 1XA 0 0.45000 0.45000 UNCH H3 19
44 6 1 0 0 0 0 0 0 0 0 0 0 -7.950490 -4.699030 16.345600 1XA 0 0.45000 0.45000 UNCH H4 20
41 8 1 0 0 0 0 0 0 0 0 0 0 -10.863900 -4.285920 15.844000 1XA 0 0.00000 0.00000 UNCH H5 21
41 9 1 0 0 0 0 0 0 0 0 0 0 -10.967900 -3.003200 17.999599 1XA 0 0.00000 0.00000 UNCH H6 22
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41 9 1 0 0 0 0 0 0 0 0 0 0 -9.201030 -3.060370 18.121099 1XA 0 0.00000 0.00000 UNCH H8 24
41 10 1 0 0 0 0 0 0 0 0 0 0 -11.058200 -5.550340 18.031601 1XA 0 0.00000 0.00000 UNCH H9 25
41 10 1 0 0 0 0 0 0 0 0 0 0 -10.186500 -6.490680 16.821400 1XA 0 0.00000 0.00000 UNCH H10 26
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.293850 -5.669530 18.111601 1XA 0 0.00000 0.00000 UNCH H11 27
42 5 1 0 0 0 0 0 0 0 0 0 0 -7.086430 -3.209240 13.427100 1XA 0 0.45000 0.45000 UNCH H12 28
41 13 1 0 0 0 0 0 0 0 0 0 0 -9.172690 -1.716030 11.546600 1XA 0 0.15000 0.15000 UNCH H13 29
41 14 1 0 0 0 0 0 0 0 0 0 0 -10.946700 -2.889660 10.262800 1XA 0 0.15000 0.15000 UNCH H14 30
41 15 1 0 0 0 0 0 0 0 0 0 0 -11.645400 -5.176280 10.921700 1XA 0 0.15000 0.15000 UNCH H15 31
41 16 1 0 0 0 0 0 0 0 0 0 0 -10.609700 -6.288290 12.863800 1XA 0 0.15000 0.15000 UNCH H16 32
23 [COXBAS,23,23,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
53 8 1 7 1 6 1 5 2 0 0 0 0 -9.081630 -4.931620 14.083300 1XA 0 1.24240 1.24240 COXB P1 1
49 9 1 8 1 0 0 0 0 0 0 0 0 -7.144150 -3.636440 15.966000 1XA 0 -0.46000 -0.46000 COXB S1 2
49 10 1 9 1 0 0 0 0 0 0 0 0 -8.817800 -1.161980 16.161100 1XA 0 -0.46000 -0.46000 COXB S2 3
49 10 1 8 1 0 0 0 0 0 0 0 0 -8.046570 -2.191110 13.451700 1XA 0 -0.46000 -0.46000 COXB S3 4
15 1 2 0 0 0 0 0 0 0 0 0 0 -10.387100 -4.538630 14.714800 1XA 0 -0.70000 -0.70000 COXB O1 5
16 1 1 11 1 0 0 0 0 0 0 0 0 -9.221260 -5.183700 12.489300 1XA 0 -0.55120 -0.55120 COXB O2 6
16 1 1 12 1 0 0 0 0 0 0 0 0 -8.564510 -6.371500 14.611700 1XA 0 -0.55120 -0.55120 COXB O3 7
3 1 1 2 1 4 1 13 1 0 0 0 0 -7.718940 -3.774470 14.259100 1XA 0 0.46000 0.46000 COXB C1 8
3 2 1 3 1 15 1 14 1 0 0 0 0 -8.565910 -2.844780 16.747700 1XA 0 0.46000 0.46000 COXB C2 9
3 3 1 4 1 23 1 16 1 0 0 0 0 -9.368870 -1.530610 14.488000 1XA 0 0.46000 0.46000 COXB C3 10
3 6 1 19 1 18 1 17 1 0 0 0 0 -10.373800 -5.879150 12.053100 1XA 0 0.28000 0.28000 COXB C4 11
3 7 1 22 1 21 1 20 1 0 0 0 0 -7.388970 -6.946990 14.078800 1XA 0 0.28000 0.28000 COXB C5 12
41 8 1 0 0 0 0 0 0 0 0 0 0 -6.877820 -4.199570 13.703900 1XA 0 0.00000 0.00000 COXB H1 13
41 9 1 0 0 0 0 0 0 0 0 0 0 -8.341130 -2.779160 17.816799 1XA 0 0.00000 0.00000 COXB H21 14
41 9 1 0 0 0 0 0 0 0 0 0 0 -9.474780 -3.442230 16.668699 1XA 0 0.00000 0.00000 COXB H22 15
41 10 1 0 0 0 0 0 0 0 0 0 0 -10.259300 -2.159660 14.485200 1XA 0 0.00000 0.00000 COXB H32 16
41 11 1 0 0 0 0 0 0 0 0 0 0 -10.264500 -6.104830 10.989400 1XA 0 0.00000 0.00000 COXB H41 17
41 11 1 0 0 0 0 0 0 0 0 0 0 -11.260300 -5.255050 12.193100 1XA 0 0.00000 0.00000 COXB H42 18
41 11 1 0 0 0 0 0 0 0 0 0 0 -10.485800 -6.816750 12.604300 1XA 0 0.00000 0.00000 COXB H43 19
41 12 1 0 0 0 0 0 0 0 0 0 0 -7.392360 -8.016240 14.305600 1XA 0 0.00000 0.00000 COXB H51 20
41 12 1 0 0 0 0 0 0 0 0 0 0 -6.508880 -6.496160 14.543000 1XA 0 0.00000 0.00000 COXB H52 21
41 12 1 0 0 0 0 0 0 0 0 0 0 -7.341530 -6.821140 12.994400 1XA 0 0.00000 0.00000 COXB H53 22
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.673590 -0.580465 14.038300 1XA 0 0.00000 0.00000 COXB H2 23
15 [COXZEU,15,15,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 8 1 7 1 0 0 0 0 0 0 0 0 -8.696590 -6.005180 13.021900 1XA 0 -0.37100 -0.37100 COXZ S1 1
49 7 2 0 0 0 0 0 0 0 0 0 0 -6.646380 -5.978150 15.187300 1XA 0 -0.38000 -0.38000 COXZ S2 2
25 7 1 6 2 0 0 0 0 0 0 0 0 -8.559440 -4.091690 14.910500 1XA 0 -0.66100 -0.66100 COXZ N1 3
25 14 1 12 1 6 1 0 0 0 0 0 0 -7.402330 -2.728380 13.314200 1XA 0 -0.85000 -0.85000 COXZ N2 4
25 15 1 13 1 6 1 0 0 0 0 0 0 -8.777920 -1.820110 14.789000 1XA 0 -0.85000 -0.85000 COXZ N3 5
2 3 2 4 1 5 1 0 0 0 0 0 0 -8.241370 -2.979900 14.345400 1XA 0 0.55000 0.55000 COXZ C1 6
2 1 1 2 2 3 1 0 0 0 0 0 0 -7.973040 -5.244660 14.454400 1XA 0 0.73200 0.73200 COXZ C2 7
3 1 1 11 1 10 1 9 1 0 0 0 0 -10.437500 -5.886400 13.487800 1XA 0 0.23000 0.23000 COXZ C3 8
41 8 1 0 0 0 0 0 0 0 0 0 0 -10.603100 -6.325680 14.475300 1XA 0 0.00000 0.00000 COXZ H1 9
41 8 1 0 0 0 0 0 0 0 0 0 0 -11.041300 -6.434690 12.759600 1XA 0 0.00000 0.00000 COXZ H2 10
41 8 1 0 0 0 0 0 0 0 0 0 0 -10.768900 -4.844660 13.491800 1XA 0 0.00000 0.00000 COXZ H3 11
43 4 1 0 0 0 0 0 0 0 0 0 0 -7.132420 -3.534670 12.760100 1XA 0 0.40000 0.40000 COXZ H4 12
43 5 1 0 0 0 0 0 0 0 0 0 0 -8.083860 -1.087950 14.890300 1XA 0 0.40000 0.40000 COXZ H5 13
43 4 1 0 0 0 0 0 0 0 0 0 0 -7.725310 -1.975250 12.716400 1XA 0 0.40000 0.40000 COXZ H6 14
43 5 1 0 0 0 0 0 0 0 0 0 0 -9.263100 -1.965820 15.670000 1XA 0 0.40000 0.40000 COXZ H7 15
26 [COYMOS,26,26,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
15 6 2 0 0 0 0 0 0 0 0 0 0 -8.299320 -7.239100 15.037400 1XA 0 -0.57000 -0.57000 COYK O1 1
15 7 2 0 0 0 0 0 0 0 0 0 0 -11.369200 -7.207870 13.026200 1XA 0 -0.57000 -0.57000 COYK O2 2
25 6 1 16 1 17 1 0 0 0 0 0 0 -7.664170 -6.296570 13.076800 1XA 0 -0.80000 -0.80000 COYK N1 3
25 7 1 18 1 19 1 0 0 0 0 0 0 -11.148800 -5.161340 12.075400 1XA 0 -0.80000 -0.80000 COYK N2 4
25 8 1 9 1 10 1 0 0 0 0 0 0 -9.785080 -4.222250 14.323900 1XA 0 -0.43800 -0.43800 COYK N3 5
2 1 2 3 1 9 1 0 0 0 0 0 0 -8.551380 -6.489570 14.100900 1XA 0 0.63000 0.63000 COYK C1 6
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3 5 1 9 1 20 1 21 1 0 0 0 0 -10.362100 -5.114830 15.321200 1XA 0 -0.03100 -0.03100 COYK C3 8
3 5 1 6 1 7 1 8 1 0 0 0 0 -9.817650 -5.701250 14.036100 1XA 0 0.16900 0.16900 COYK C4 9
2 5 1 11 2 15 1 0 0 0 0 0 0 -8.567040 -3.540000 14.573000 1XA 0 0.10000 0.10000 COYK C5 10
2 10 2 12 1 22 1 0 0 0 0 0 0 -8.330580 -2.388320 13.803000 1XA 0 -0.15000 -0.15000 COYK C6 11
2 11 1 13 2 23 1 0 0 0 0 0 0 -7.164590 -1.633970 13.957400 1XA 0 -0.15000 -0.15000 COYK C7 12
2 12 2 14 1 24 1 0 0 0 0 0 0 -6.211180 -2.016790 14.894600 1XA 0 -0.15000 -0.15000 COYK C8 13
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43 3 1 0 0 0 0 0 0 0 0 0 0 -6.747000 -6.708140 13.186000 1XA 0 0.37000 0.37000 COYK H11 16
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41 8 1 0 0 0 0 0 0 0 0 0 0 -11.433900 -5.004910 15.426500 1XA 0 0.10000 0.10000 COYK H13 20
41 8 1 0 0 0 0 0 0 0 0 0 0 -9.824390 -5.267900 16.245001 1XA 0 0.10000 0.10000 COYK H23 21
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.070260 -2.068270 13.072600 1XA 0 0.15000 0.15000 COYK H6 22
41 12 1 0 0 0 0 0 0 0 0 0 0 -7.006640 -0.746466 13.350300 1XA 0 0.15000 0.15000 COYK H7 23
41 13 1 0 0 0 0 0 0 0 0 0 0 -5.303550 -1.432430 15.021500 1XA 0 0.15000 0.15000 COYK H8 24
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.689700 -3.448000 16.415400 1XA 0 0.15000 0.15000 COYK H9 25
41 15 1 0 0 0 0 0 0 0 0 0 0 -7.720100 -4.771970 16.156601 1XA 0 0.15000 0.15000 COYK H10 26
18 [COYNAF,18,18,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
26 2 1 13 1 14 1 0 0 0 0 0 0 -7.218740 -1.610300 15.181800 1XA 0 -0.72900 -0.72900 UNCH N2 1
25 1 1 5 1 12 1 0 0 0 0 0 0 -7.887980 -2.793240 14.840200 1XA 0 -0.11100 -0.11100 UNCH N1 2
15 5 2 0 0 0 0 0 0 0 0 0 0 -9.719110 -2.666580 16.306700 1XA 0 -0.57000 -0.57000 UNCH O1 3
15 12 2 0 0 0 0 0 0 0 0 0 0 -6.336450 -3.723960 13.341400 1XA 0 -0.57000 -0.57000 UNCH O2 4
2 2 1 3 2 6 1 0 0 0 0 0 0 -9.069780 -3.191670 15.421300 1XA 0 0.54380 0.54380 UNCH C1 5
2 5 1 7 2 11 1 0 0 0 0 0 0 -9.406760 -4.467270 14.785600 1XA 0 0.08620 0.08620 UNCH C2 6
2 6 2 8 1 15 1 0 0 0 0 0 0 -10.497700 -5.293420 14.973900 1XA 0 -0.15000 -0.15000 UNCH C3 7
2 7 1 9 2 16 1 0 0 0 0 0 0 -10.543000 -6.472390 14.222800 1XA 0 -0.15000 -0.15000 UNCH C4 8
2 8 2 10 1 17 1 0 0 0 0 0 0 -9.510130 -6.795250 13.317400 1XA 0 -0.15000 -0.15000 UNCH C5 9
2 9 1 11 2 18 1 0 0 0 0 0 0 -8.412800 -5.945120 13.146200 1XA 0 -0.15000 -0.15000 UNCH C6 10
2 6 1 10 2 12 1 0 0 0 0 0 0 -8.391130 -4.784740 13.895300 1XA 0 0.08620 0.08620 UNCH C7 11
2 2 1 4 2 11 1 0 0 0 0 0 0 -7.390770 -3.716510 13.949400 1XA 0 0.54380 0.54380 UNCH C8 12
43 1 1 0 0 0 0 0 0 0 0 0 0 -6.214890 -1.792460 15.111800 1XA 0 0.36000 0.36000 UNCH H5 13
43 1 1 0 0 0 0 0 0 0 0 0 0 -7.417530 -1.416530 16.166000 1XA 0 0.36000 0.36000 UNCH H6 14
41 7 1 0 0 0 0 0 0 0 0 0 0 -11.284300 -5.035500 15.675900 1XA 0 0.15000 0.15000 UNCH H1 15
41 8 1 0 0 0 0 0 0 0 0 0 0 -11.385500 -7.152620 14.337900 1XA 0 0.15000 0.15000 UNCH H2 16
41 9 1 0 0 0 0 0 0 0 0 0 0 -9.569460 -7.720300 12.745900 1XA 0 0.15000 0.15000 UNCH H3 17
41 10 1 0 0 0 0 0 0 0 0 0 0 -7.610430 -6.183900 12.455300 1XA 0 0.15000 0.15000 UNCH H4 18
27 [COYVIV,27,27,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 2 1 5 1 0 0 0 0 0 0 0 0 -10.096700 -4.946180 16.705500 1XA 0 -0.08000 -0.08000 UNCH S11 1
2 1 1 3 2 12 1 0 0 0 0 0 0 -10.771300 -3.366060 16.748100 1XA 0 0.46210 0.46210 UNCH C21 2
25 2 2 4 1 0 0 0 0 0 0 0 0 -10.008900 -2.447190 16.197500 1XA 0 -0.33810 -0.33810 UNCH N31 3
25 3 1 5 2 0 0 0 0 0 0 0 0 -8.834910 -2.966730 15.696700 1XA 0 -0.33810 -0.33810 UNCH N41 4
2 1 1 4 2 6 1 0 0 0 0 0 0 -8.754400 -4.269270 15.877600 1XA 0 0.32510 0.32510 UNCH C51 5
2 5 1 7 2 11 1 0 0 0 0 0 0 -7.653530 -5.104490 15.404500 1XA 0 0.05300 0.05300 UNCH C61 6
2 6 2 8 1 20 1 0 0 0 0 0 0 -6.835210 -5.756200 16.345100 1XA 0 -0.15000 -0.15000 UNCH C71 7
2 7 1 9 2 21 1 0 0 0 0 0 0 -5.743570 -6.526770 15.936500 1XA 0 -0.15000 -0.15000 UNCH C81 8
2 8 2 10 1 22 1 0 0 0 0 0 0 -5.448480 -6.657050 14.582300 1XA 0 -0.15000 -0.15000 UNCH C91 9
2 9 1 11 2 23 1 0 0 0 0 0 0 -6.243850 -6.018130 13.632400 1XA 0 -0.15000 -0.15000 UNCH C101 10
2 6 1 10 2 13 1 0 0 0 0 0 0 -7.338110 -5.239350 14.040700 1XA 0 -0.00900 -0.00900 UNCH C111 11
25 2 1 18 1 19 1 0 0 0 0 0 0 -11.980000 -3.129840 17.295300 1XA 0 -0.88400 -0.88400 UNCH N121 12
49 11 1 14 2 15 2 16 1 0 0 0 0 -8.362710 -4.501700 12.781300 1XA 0 1.44700 1.44700 UNCH S131 13
15 13 2 0 0 0 0 0 0 0 0 0 0 -9.737630 -4.801810 13.112600 1XA 0 -0.65000 -0.65000 UNCH O141 14
15 13 2 0 0 0 0 0 0 0 0 0 0 -7.809640 -4.866350 11.494000 1XA 0 -0.65000 -0.65000 UNCH O151 15
25 13 1 17 1 24 1 0 0 0 0 0 0 -8.122080 -2.852830 12.986000 1XA 0 -0.91370 -0.91370 UNCH N161 16
3 16 1 25 1 26 1 27 1 0 0 0 0 -6.777970 -2.310930 12.823100 1XA 0 0.35570 0.35570 UNCH C171 17
43 12 1 0 0 0 0 0 0 0 0 0 0 -12.630700 -3.907090 17.311701 1XA 0 0.40000 0.40000 UNCH H1 18
43 12 1 0 0 0 0 0 0 0 0 0 0 -12.414400 -2.259250 17.005301 1XA 0 0.40000 0.40000 UNCH H2 19
41 7 1 0 0 0 0 0 0 0 0 0 0 -7.034630 -5.658270 17.411600 1XA 0 0.15000 0.15000 UNCH H3 20
41 8 1 0 0 0 0 0 0 0 0 0 0 -5.121670 -7.023790 16.678101 1XA 0 0.15000 0.15000 UNCH H4 21
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41 10 1 0 0 0 0 0 0 0 0 0 0 -6.008770 -6.140620 12.576300 1XA 0 0.15000 0.15000 UNCH H6 23
43 16 1 0 0 0 0 0 0 0 0 0 0 -8.672890 -2.473660 13.766800 1XA 0 0.42000 0.42000 UNCH H7 24
41 17 1 0 0 0 0 0 0 0 0 0 0 -6.289080 -2.706840 11.929600 1XA 0 0.00000 0.00000 UNCH H8 25
41 17 1 0 0 0 0 0 0 0 0 0 0 -6.169020 -2.521270 13.706000 1XA 0 0.00000 0.00000 UNCH H9 26
41 17 1 0 0 0 0 0 0 0 0 0 0 -6.847240 -1.224700 12.713000 1XA 0 0.00000 0.00000 UNCH H10 27
29 [CUBTUO,29,29,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 10 1 11 2 17 1 0 0 0 0 0 0 -10.619100 -2.833880 13.707500 1XA 0 -0.70000 -0.70000 CUBT N1 1
25 11 1 12 1 19 1 0 0 0 0 0 0 -12.617800 -2.111070 13.897800 1XA 0 -0.70000 -0.70000 CUBT N2 2
2 4 2 8 1 9 1 0 0 0 0 0 0 -8.883320 -4.470370 15.327400 1XA 0 -0.14350 -0.14350 CUBT C1 3
2 3 2 5 1 13 1 0 0 0 0 0 0 -8.619160 -5.572610 14.474100 1XA 0 -0.14350 -0.14350 CUBT C2 4
2 4 1 6 2 14 1 0 0 0 0 0 0 -7.297270 -5.786220 14.015400 1XA 0 -0.14350 -0.14350 CUBT C3 5
2 5 2 7 1 15 1 0 0 0 0 0 0 -6.284090 -4.880130 14.365400 1XA 0 -0.15000 -0.15000 CUBT C4 6
2 6 1 8 2 16 1 0 0 0 0 0 0 -6.553050 -3.788800 15.183100 1XA 0 -0.15000 -0.15000 CUBT C5 7
2 3 1 7 2 29 1 0 0 0 0 0 0 -7.840920 -3.586980 15.664500 1XA 0 -0.15000 -0.15000 CUBT C6 8
3 3 1 10 1 21 1 22 1 0 0 0 0 -10.268200 -4.162850 15.858800 1XA 0 0.31150 0.31150 CUBT C7 9
2 1 1 9 1 12 2 0 0 0 0 0 0 -11.074700 -3.319560 14.933400 1XA 0 0.18200 0.18200 CUBT C8 10
2 1 2 2 1 18 1 0 0 0 0 0 0 -11.552700 -2.108530 13.092500 1XA 0 0.65000 0.65000 CUBT C9 11
2 2 1 10 2 20 1 0 0 0 0 0 0 -12.361000 -2.843740 15.036100 1XA 0 0.20000 0.20000 CUBT C10 12
3 4 1 23 1 24 1 25 1 0 0 0 0 -9.712990 -6.552730 14.120000 1XA 0 0.14350 0.14350 CUBT C11 13
3 5 1 26 1 27 1 28 1 0 0 0 0 -6.928260 -6.964410 13.149900 1XA 0 0.14350 0.14350 CUBT C12 14
41 6 1 0 0 0 0 0 0 0 0 0 0 -5.264310 -5.032520 14.013800 1XA 0 0.15000 0.15000 CUBT H1 15
41 7 1 0 0 0 0 0 0 0 0 0 0 -5.750770 -3.107380 15.457900 1XA 0 0.15000 0.15000 CUBT H2 16
43 1 1 0 0 0 0 0 0 0 0 0 0 -9.686140 -3.016890 13.334900 1XA 0 0.45000 0.45000 CUBT H3 17
41 11 1 0 0 0 0 0 0 0 0 0 0 -11.464800 -1.615730 12.131200 1XA 0 0.15000 0.15000 CUBT H4 18
43 2 1 0 0 0 0 0 0 0 0 0 0 -13.492500 -1.633680 13.689200 1XA 0 0.45000 0.45000 CUBT H5 19
41 12 1 0 0 0 0 0 0 0 0 0 0 -13.136400 -2.930980 15.778000 1XA 0 0.15000 0.15000 CUBT H6 20
41 9 1 0 0 0 0 0 0 0 0 0 0 -10.815300 -5.087220 16.074400 1XA 0 0.00000 0.00000 CUBT H7 21
41 9 1 0 0 0 0 0 0 0 0 0 0 -10.188200 -3.633730 16.816900 1XA 0 0.00000 0.00000 CUBT H8 22
41 13 1 0 0 0 0 0 0 0 0 0 0 -10.663700 -6.041290 13.942900 1XA 0 0.00000 0.00000 CUBT H9 23
41 13 1 0 0 0 0 0 0 0 0 0 0 -9.499860 -7.097580 13.196200 1XA 0 0.00000 0.00000 CUBT H10 24
41 13 1 0 0 0 0 0 0 0 0 0 0 -9.839060 -7.276260 14.931300 1XA 0 0.00000 0.00000 CUBT H11 25
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.254620 -7.899510 13.616300 1XA 0 0.00000 0.00000 CUBT H12 26
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.385950 -6.864120 12.160800 1XA 0 0.00000 0.00000 CUBT H13 27
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.844390 -7.037380 13.009200 1XA 0 0.00000 0.00000 CUBT H14 28
41 8 1 0 0 0 0 0 0 0 0 0 0 -8.020880 -2.734700 16.318100 1XA 0 0.15000 0.15000 CUBT H15 29
27 [CUCDAF,27,27,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 21 1 4 1 0 0 0 0 0 0 0 0 -8.783870 -3.184510 11.643200 1XA 0 -0.68000 -0.68000 CUCD O1 1
16 6 1 5 1 0 0 0 0 0 0 0 0 -6.371610 -3.054300 13.420900 1XA 0 -0.29600 -0.29600 CUCD O2 2
15 7 2 0 0 0 0 0 0 0 0 0 0 -6.677690 -4.876670 16.343500 1XA 0 -0.57000 -0.57000 CUCD O3 3
3 1 1 14 1 12 1 5 1 0 0 0 0 -8.500080 -4.124570 12.676700 1XA 0 0.51850 0.51850 CUCD C1 4
3 2 1 4 1 16 1 6 1 0 0 0 0 -6.997210 -4.173290 12.774900 1XA 0 -0.04700 -0.04700 CUCD C2 5
3 2 1 5 1 17 1 7 1 0 0 0 0 -6.325180 -4.331540 14.097100 1XA 0 0.04800 0.04800 CUCD C3 6
2 3 2 6 1 13 1 0 0 0 0 0 0 -7.149490 -4.417830 15.312000 1XA 0 0.48380 0.48380 CUCD C4 7
2 18 1 13 1 9 2 0 0 0 0 0 0 -9.188980 -3.650930 16.448400 1XA 0 -0.15000 -0.15000 CUCD C5 8
2 8 2 19 1 10 1 0 0 0 0 0 0 -10.478800 -3.141580 16.458099 1XA 0 -0.15000 -0.15000 CUCD C6 9
2 9 1 20 1 11 2 0 0 0 0 0 0 -11.133500 -2.910860 15.253400 1XA 0 -0.15000 -0.15000 CUCD C7 10
2 10 2 15 1 12 1 0 0 0 0 0 0 -10.522900 -3.202570 14.016300 1XA 0 -0.14350 -0.14350 CUCD C8 11
2 4 1 11 1 13 2 0 0 0 0 0 0 -9.196520 -3.719670 13.986200 1XA 0 -0.14350 -0.14350 CUCD C9 12
2 7 1 8 1 12 2 0 0 0 0 0 0 -8.549200 -3.927670 15.231200 1XA 0 0.08620 0.08620 CUCD C10 13
3 4 1 24 1 23 1 22 1 0 0 0 0 -9.000210 -5.506320 12.228000 1XA 0 0.00000 0.00000 CUCD C11 14
3 11 1 27 1 26 1 25 1 0 0 0 0 -11.327900 -2.893210 12.777500 1XA 0 0.14350 0.14350 CUCD C12 15
41 5 1 0 0 0 0 0 0 0 0 0 0 -6.515510 -4.558250 11.885400 1XA 0 0.10000 0.10000 CUCD H2 16
41 6 1 0 0 0 0 0 0 0 0 0 0 -5.369220 -4.839060 14.129800 1XA 0 0.10000 0.10000 CUCD H3 17
41 8 1 0 0 0 0 0 0 0 0 0 0 -8.674190 -3.819640 17.392799 1XA 0 0.15000 0.15000 CUCD H5 18
41 9 1 0 0 0 0 0 0 0 0 0 0 -10.971100 -2.917070 17.400900 1XA 0 0.15000 0.15000 CUCD H6 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -12.142200 -2.500340 15.282800 1XA 0 0.15000 0.15000 CUCD H7 20
42 1 1 0 0 0 0 0 0 0 0 0 0 -8.465670 -2.323170 11.971000 1XA 0 0.40000 0.40000 CUCD H101 21
41 14 1 0 0 0 0 0 0 0 0 0 0 -10.084300 -5.530460 12.083500 1XA 0 0.00000 0.00000 CUCD H111 22
41 14 1 0 0 0 0 0 0 0 0 0 0 -8.556520 -5.787070 11.265200 1XA 0 0.00000 0.00000 CUCD H112 23
41 14 1 0 0 0 0 0 0 0 0 0 0 -8.742250 -6.283070 12.957100 1XA 0 0.00000 0.00000 CUCD H113 24
41 15 1 0 0 0 0 0 0 0 0 0 0 -10.965800 -1.970150 12.314600 1XA 0 0.00000 0.00000 CUCD H121 25
41 15 1 0 0 0 0 0 0 0 0 0 0 -11.295100 -3.710440 12.054500 1XA 0 0.00000 0.00000 CUCD H122 26
41 15 1 0 0 0 0 0 0 0 0 0 0 -12.386800 -2.745800 13.019300 1XA 0 0.00000 0.00000 CUCD H123 27
29 [CUCHOX,29,29,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 9 1 16 1 0 0 0 0 0 0 0 0 -7.290650 -6.578450 14.654300 1XA 0 -0.68000 -0.68000 UNCH O2 1
3 11 1 24 1 25 1 26 1 0 0 0 0 -10.423700 -2.316990 12.558400 1XA 0 0.06100 0.06100 UNCH C10 2
15 8 2 0 0 0 0 0 0 0 0 0 0 -7.903550 -2.406790 14.610000 1XA 0 -0.57000 -0.57000 UNCH O3 3
2 6 1 7 1 14 2 0 0 0 0 0 0 -9.922980 -5.334410 12.659200 1XA 0 0.50900 0.50900 UNCH C2 4
15 11 2 0 0 0 0 0 0 0 0 0 0 -11.391500 -2.753740 14.711400 1XA 0 -0.57000 -0.57000 UNCH O4 5
3 4 1 10 1 11 1 12 1 0 0 0 0 -10.004700 -4.473520 13.869700 1XA 0 0.00000 0.00000 UNCH C1 6
3 4 1 9 1 19 1 20 1 0 0 0 0 -8.663190 -6.159840 12.674400 1XA 0 0.06100 0.06100 UNCH C3 7
2 3 2 10 1 15 1 0 0 0 0 0 0 -8.077520 -3.425370 15.267400 1XA 0 0.50900 0.50900 UNCH C7 8
3 1 1 7 1 10 1 13 1 0 0 0 0 -7.791410 -5.552860 13.797600 1XA 0 0.37500 0.37500 UNCH C4 9
3 6 1 8 1 9 1 12 1 0 0 0 0 -8.685560 -4.626240 14.618700 1XA 0 -0.09500 -0.09500 UNCH C5 10
2 2 1 5 2 6 1 0 0 0 0 0 0 -10.672000 -3.136400 13.793500 1XA 0 0.50900 0.50900 UNCH C9 11
3 6 1 10 1 17 1 18 1 0 0 0 0 -9.969130 -5.180730 15.217200 1XA 0 -0.20000 -0.20000 UNCH C6 12
3 9 1 21 1 22 1 23 1 0 0 0 0 -6.579270 -4.843950 13.190400 1XA 0 0.00000 0.00000 UNCH C11 13
15 4 2 0 0 0 0 0 0 0 0 0 0 -10.799100 -5.385850 11.812100 1XA 0 -0.57000 -0.57000 UNCH O1 14
3 8 1 27 1 28 1 29 1 0 0 0 0 -7.711200 -3.555750 16.716400 1XA 0 0.06100 0.06100 UNCH C8 15
42 1 1 0 0 0 0 0 0 0 0 0 0 -8.020500 -7.156680 14.933300 1XA 0 0.40000 0.40000 UNCH H2 16
41 12 1 0 0 0 0 0 0 0 0 0 0 -10.415800 -4.673760 16.068701 1XA 0 0.10000 0.10000 UNCH H61 17
41 12 1 0 0 0 0 0 0 0 0 0 0 -10.142700 -6.250600 15.240100 1XA 0 0.10000 0.10000 UNCH H62 18
41 7 1 0 0 0 0 0 0 0 0 0 0 -8.930480 -7.201370 12.880000 1XA 0 0.00000 0.00000 UNCH H31 19
41 7 1 0 0 0 0 0 0 0 0 0 0 -8.184530 -6.100320 11.692200 1XA 0 0.00000 0.00000 UNCH H32 20
41 13 1 0 0 0 0 0 0 0 0 0 0 -5.913150 -4.456180 13.969500 1XA 0 0.00000 0.00000 UNCH H111 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -5.977070 -5.544500 12.600100 1XA 0 0.00000 0.00000 UNCH H112 22
41 13 1 0 0 0 0 0 0 0 0 0 0 -6.876570 -4.012330 12.543000 1XA 0 0.00000 0.00000 UNCH H113 23
41 2 1 0 0 0 0 0 0 0 0 0 0 -10.491200 -1.255180 12.811100 1XA 0 0.00000 0.00000 UNCH H101 24
41 2 1 0 0 0 0 0 0 0 0 0 0 -11.173700 -2.559790 11.802100 1XA 0 0.00000 0.00000 UNCH H102 25
41 2 1 0 0 0 0 0 0 0 0 0 0 -9.422820 -2.508990 12.163100 1XA 0 0.00000 0.00000 UNCH H103 26
41 15 1 0 0 0 0 0 0 0 0 0 0 -6.910010 -2.849990 16.952101 1XA 0 0.00000 0.00000 UNCH H81 27
41 15 1 0 0 0 0 0 0 0 0 0 0 -7.350850 -4.566060 16.926800 1XA 0 0.00000 0.00000 UNCH H82 28
41 15 1 0 0 0 0 0 0 0 0 0 0 -8.583960 -3.335860 17.335600 1XA 0 0.00000 0.00000 UNCH H83 29
25 [CUCHUD,25,25,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 2 1 7 1 0 0 0 0 0 0 0 0 -8.530990 -4.679880 13.845700 1XA 0 -0.15750 -0.15750 UNCH S1 1
2 1 1 3 2 6 1 0 0 0 0 0 0 -8.685660 -2.951290 13.965700 1XA 0 -0.09560 -0.09560 UNCH C2 2
2 2 2 4 1 13 1 0 0 0 0 0 0 -8.337630 -2.010980 14.918700 1XA 0 0.30620 0.30620 UNCH C3 3
25 3 1 5 2 0 0 0 0 0 0 0 0 -8.706330 -0.734894 14.519500 1XA 0 -0.56530 -0.56530 UNCH N4 4
2 4 2 6 1 18 1 0 0 0 0 0 0 -9.274510 -0.902108 13.347300 1XA 0 0.03650 0.03650 UNCH C5 5
25 2 1 5 1 16 1 0 0 0 0 0 0 -9.282570 -2.218230 12.966500 1XA 0 0.04760 0.04760 UNCH N6 6
2 1 1 8 2 12 1 0 0 0 0 0 0 -9.176080 -5.179060 15.442500 1XA 0 0.41150 0.41150 UNCH C7 7
25 7 2 9 1 0 0 0 0 0 0 0 0 -10.126500 -4.381530 15.998000 1XA 0 -0.62000 -0.62000 UNCH N8 8
2 8 1 10 2 19 1 0 0 0 0 0 0 -10.598900 -4.732300 17.213499 1XA 0 0.16000 0.16000 UNCH C9 9
2 9 2 11 1 20 1 0 0 0 0 0 0 -10.180900 -5.854730 17.907900 1XA 0 -0.15000 -0.15000 UNCH C10 10
2 10 1 12 2 21 1 0 0 0 0 0 0 -9.219290 -6.673710 17.324499 1XA 0 -0.15000 -0.15000 UNCH C11 11
2 7 1 11 2 17 1 0 0 0 0 0 0 -8.708080 -6.336070 16.073900 1XA 0 0.08250 0.08250 UNCH C12 12
31 3 1 14 1 15 2 0 0 0 0 0 0 -7.660320 -2.198840 16.178699 1XA 0 0.96100 0.96100 UNCH N13 13
18 13 1 0 0 0 0 0 0 0 0 0 0 -6.835380 -3.122470 16.252399 1XA 0 -0.52000 -0.52000 UNCH O14 14
15 13 2 0 0 0 0 0 0 0 0 0 0 -7.933350 -1.410990 17.096600 1XA 0 -0.52000 -0.52000 UNCH O15 15
3 6 1 22 1 23 1 24 1 0 0 0 0 -9.851820 -2.706230 11.732300 1XA 0 0.25560 0.25560 UNCH C16 16
16 12 1 25 1 0 0 0 0 0 0 0 0 -7.763500 -7.133770 15.489400 1XA 0 -0.53250 -0.53250 UNCH O17 17
41 5 1 0 0 0 0 0 0 0 0 0 0 -9.694100 -0.111846 12.736700 1XA 0 0.15000 0.15000 UNCH H5 18
41 9 1 0 0 0 0 0 0 0 0 0 0 -11.346400 -4.062480 17.630501 1XA 0 0.15000 0.15000 UNCH H9 19
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41 11 1 0 0 0 0 0 0 0 0 0 0 -8.883340 -7.560430 17.852301 1XA 0 0.15000 0.15000 UNCH H11 21
41 16 1 0 0 0 0 0 0 0 0 0 0 -9.066740 -3.202610 11.156400 1XA 0 0.00000 0.00000 UNCH H161 22
41 16 1 0 0 0 0 0 0 0 0 0 0 -10.662700 -3.399270 11.970100 1XA 0 0.00000 0.00000 UNCH H162 23
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42 17 1 0 0 0 0 0 0 0 0 0 0 -7.454230 -7.789510 16.135401 1XA 0 0.45000 0.45000 UNCH H17 25
23 [CUDJAM,23,23,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
15 13 2 0 0 0 0 0 0 0 0 0 0 -6.607000 -3.004710 11.794200 1XA 0 -0.57000 -0.57000 UNCH O1 1
16 6 1 14 1 0 0 0 0 0 0 0 0 -10.430700 -7.093870 13.727500 1XA 0 -0.33700 -0.33700 UNCH O2 2
16 5 1 15 1 0 0 0 0 0 0 0 0 -9.218740 -2.520230 17.068001 1XA 0 -0.33700 -0.33700 UNCH O3 3
25 9 1 10 1 11 1 0 0 0 0 0 0 -8.692030 -5.018880 13.691000 1XA 0 -0.38800 -0.38800 UNCH N1 4
25 3 1 8 2 0 0 0 0 0 0 0 0 -8.899600 -3.535160 16.158001 1XA 0 -0.51300 -0.51300 UNCH N2 5
25 2 1 9 2 0 0 0 0 0 0 0 0 -10.683800 -6.051600 14.629100 1XA 0 -0.51300 -0.51300 UNCH N3 6
25 13 1 16 1 17 1 0 0 0 0 0 0 -6.636450 -2.957040 14.070100 1XA 0 -0.80000 -0.80000 UNCH N4 7
2 5 2 9 1 12 1 0 0 0 0 0 0 -9.967850 -3.972860 15.550400 1XA 0 0.38900 0.38900 UNCH C1 8
2 4 1 6 2 8 1 0 0 0 0 0 0 -9.791390 -5.107100 14.534300 1XA 0 0.50000 0.50000 UNCH C2 9
3 4 1 11 1 18 1 19 1 0 0 0 0 -8.850650 -5.134440 12.250200 1XA 0 -0.03100 -0.03100 UNCH C3 10
3 4 1 10 1 13 1 20 1 0 0 0 0 -8.539840 -3.799300 12.890500 1XA 0 0.06900 0.06900 UNCH C4 11
3 8 1 21 1 22 1 23 1 0 0 0 0 -11.370200 -3.473310 15.770700 1XA 0 0.06100 0.06100 UNCH C5 12
2 1 2 7 1 11 1 0 0 0 0 0 0 -7.178960 -3.229650 12.850400 1XA 0 0.63000 0.63000 UNCH C6 13
42 2 1 0 0 0 0 0 0 0 0 0 0 -11.098000 -7.758830 13.979400 1XA 0 0.40000 0.40000 UNCH H2 14
42 3 1 0 0 0 0 0 0 0 0 0 0 -8.372530 -2.363380 17.528000 1XA 0 0.40000 0.40000 UNCH H3 15
43 7 1 0 0 0 0 0 0 0 0 0 0 -5.671900 -2.661860 14.113400 1XA 0 0.37000 0.37000 UNCH H14 16
43 7 1 0 0 0 0 0 0 0 0 0 0 -7.102430 -3.260530 14.921500 1XA 0 0.37000 0.37000 UNCH H24 17
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.855540 -5.317000 11.897600 1XA 0 0.10000 0.10000 UNCH H13 18
41 10 1 0 0 0 0 0 0 0 0 0 0 -8.051280 -5.685500 11.775500 1XA 0 0.10000 0.10000 UNCH H23 19
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.350460 -3.081940 12.930600 1XA 0 0.10000 0.10000 UNCH H4 20
41 12 1 0 0 0 0 0 0 0 0 0 0 -12.003100 -3.711500 14.911400 1XA 0 0.00000 0.00000 UNCH H15 21
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.783700 -3.947740 16.664600 1XA 0 0.00000 0.00000 UNCH H25 22
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.377800 -2.387790 15.899000 1XA 0 0.00000 0.00000 UNCH H35 23
35 [CUDNEU,35,35,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
60 4 1 5 1 6 1 7 1 0 0 0 0 -8.406660 -6.259620 13.665700 1XA 0 0.32200 0.32200 UNCH SI1 1
16 7 1 13 1 0 0 0 0 0 0 0 0 -9.006490 -4.419440 15.909700 1XA 0 -0.56000 -0.56000 UNCH O1 2
16 12 1 14 1 0 0 0 0 0 0 0 0 -9.967030 -3.754040 12.332400 1XA 0 -0.68000 -0.68000 UNCH O2 3
3 1 1 15 1 16 1 17 1 0 0 0 0 -9.998090 -7.199840 13.352600 1XA 0 -0.08050 -0.08050 UNCH C1 4
3 1 1 18 1 19 1 20 1 0 0 0 0 -7.343170 -7.133910 14.943000 1XA 0 -0.08050 -0.08050 UNCH C2 5
3 1 1 21 1 22 1 23 1 0 0 0 0 -7.452650 -6.041690 12.066300 1XA 0 -0.08050 -0.08050 UNCH C3 6
3 1 1 2 1 8 1 12 1 0 0 0 0 -8.882900 -4.378630 14.460500 1XA 0 0.19950 0.19950 UNCH C4 7
3 7 1 9 1 24 1 25 1 0 0 0 0 -7.659260 -3.448310 14.194500 1XA 0 0.00000 0.00000 UNCH C5 8
3 8 1 10 1 26 1 27 1 0 0 0 0 -7.929500 -2.012380 14.655200 1XA 0 0.00000 0.00000 UNCH C6 9
3 9 1 11 1 28 1 29 1 0 0 0 0 -9.190380 -1.437810 14.016500 1XA 0 0.00000 0.00000 UNCH C7 10
3 10 1 12 1 30 1 31 1 0 0 0 0 -10.405100 -2.342500 14.228700 1XA 0 0.00000 0.00000 UNCH C8 11
3 3 1 7 1 11 1 32 1 0 0 0 0 -10.141500 -3.779380 13.752200 1XA 0 0.28000 0.28000 UNCH C9 12
3 2 1 33 1 34 1 35 1 0 0 0 0 -10.146400 -5.062180 16.456900 1XA 0 0.28000 0.28000 UNCH C10 13
42 3 1 0 0 0 0 0 0 0 0 0 0 -10.753400 -3.330830 11.946200 1XA 0 0.40000 0.40000 UNCH H1 14
41 4 1 0 0 0 0 0 0 0 0 0 0 -9.778580 -8.190670 12.943300 1XA 0 0.00000 0.00000 UNCH H11 15
41 4 1 0 0 0 0 0 0 0 0 0 0 -10.627600 -6.670010 12.631800 1XA 0 0.00000 0.00000 UNCH H12 16
41 4 1 0 0 0 0 0 0 0 0 0 0 -10.572300 -7.336380 14.272200 1XA 0 0.00000 0.00000 UNCH H13 17
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.892050 -7.273810 15.878500 1XA 0 0.00000 0.00000 UNCH H21 18
41 5 1 0 0 0 0 0 0 0 0 0 0 -6.442170 -6.551760 15.157300 1XA 0 0.00000 0.00000 UNCH H22 19
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.036220 -8.118080 14.576900 1XA 0 0.00000 0.00000 UNCH H23 20
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.235240 -7.016000 11.618100 1XA 0 0.00000 0.00000 UNCH H31 21
41 6 1 0 0 0 0 0 0 0 0 0 0 -8.025560 -5.456910 11.341500 1XA 0 0.00000 0.00000 UNCH H32 22
41 6 1 0 0 0 0 0 0 0 0 0 0 -6.500180 -5.534010 12.243900 1XA 0 0.00000 0.00000 UNCH H33 23
41 8 1 0 0 0 0 0 0 0 0 0 0 -7.404230 -3.426500 13.128300 1XA 0 0.00000 0.00000 UNCH H51 24
41 8 1 0 0 0 0 0 0 0 0 0 0 -6.777560 -3.818990 14.732800 1XA 0 0.00000 0.00000 UNCH H52 25
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.070680 -1.380430 14.401200 1XA 0 0.00000 0.00000 UNCH H61 26
41 9 1 0 0 0 0 0 0 0 0 0 0 -8.027580 -1.984140 15.747100 1XA 0 0.00000 0.00000 UNCH H62 27
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.394840 -0.446127 14.436000 1XA 0 0.00000 0.00000 UNCH H71 28
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.020600 -1.295700 12.942200 1XA 0 0.00000 0.00000 UNCH H72 29
41 11 1 0 0 0 0 0 0 0 0 0 0 -11.252900 -1.917740 13.677900 1XA 0 0.00000 0.00000 UNCH H81 30
41 11 1 0 0 0 0 0 0 0 0 0 0 -10.677200 -2.339430 15.290200 1XA 0 0.00000 0.00000 UNCH H82 31
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.027700 -4.390440 13.953400 1XA 0 0.00000 0.00000 UNCH H91 32
41 13 1 0 0 0 0 0 0 0 0 0 0 -10.193700 -6.113290 16.170601 1XA 0 0.00000 0.00000 UNCH H101 33
41 13 1 0 0 0 0 0 0 0 0 0 0 -10.060600 -5.019570 17.546700 1XA 0 0.00000 0.00000 UNCH H102 34
41 13 1 0 0 0 0 0 0 0 0 0 0 -11.069800 -4.549240 16.179701 1XA 0 0.00000 0.00000 UNCH H103 35
17 [CUDPAS,17,17,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 2 2 6 1 0 0 0 0 0 0 0 0 -8.649950 -7.028200 14.668500 1XA 0 -0.62000 -0.62000 CUDP N1 1
2 1 2 3 1 14 1 0 0 0 0 0 0 -8.429520 -6.167180 15.685700 1XA 0 0.16000 0.16000 CUDP C2 2
2 2 1 4 2 15 1 0 0 0 0 0 0 -8.461650 -4.792050 15.548900 1XA 0 -0.15000 -0.15000 CUDP C3 3
2 3 2 5 1 8 1 0 0 0 0 0 0 -8.720400 -4.253060 14.285100 1XA 0 0.08620 0.08620 CUDP C4 4
2 4 1 6 2 7 1 0 0 0 0 0 0 -8.919770 -5.109710 13.203600 1XA 0 0.08250 0.08250 CUDP C5 5
2 1 1 5 2 16 1 0 0 0 0 0 0 -8.878990 -6.474790 13.452800 1XA 0 0.16000 0.16000 CUDP C6 6
16 5 1 17 1 0 0 0 0 0 0 0 0 -9.133280 -4.722410 11.911600 1XA 0 -0.53250 -0.53250 CUDP O7 7
2 4 1 9 2 11 1 0 0 0 0 0 0 -8.808140 -2.791760 14.169900 1XA 0 0.52880 0.52880 CUDP C8 8
25 8 2 10 1 0 0 0 0 0 0 0 0 -8.013960 -1.818840 14.507800 1XA 0 -0.80000 -0.80000 CUDP N9 9
18 9 1 0 0 0 0 0 0 0 0 0 0 -6.808180 -2.194900 15.037200 1XA 0 -0.65000 -0.65000 CUDP O10 10
31 8 1 12 1 13 2 0 0 0 0 0 0 -10.027400 -2.252180 13.558500 1XA 0 0.87500 0.87500 CUDP N11 11
18 11 1 0 0 0 0 0 0 0 0 0 0 -11.023100 -2.116670 14.290200 1XA 0 -0.52000 -0.52000 CUDP O12 12
15 11 2 0 0 0 0 0 0 0 0 0 0 -10.002800 -2.093470 12.322400 1XA 0 -0.52000 -0.52000 CUDP O13 13
41 2 1 0 0 0 0 0 0 0 0 0 0 -8.220540 -6.623990 16.648300 1XA 0 0.15000 0.15000 CUDP H1 14
41 3 1 0 0 0 0 0 0 0 0 0 0 -8.275880 -4.142480 16.399799 1XA 0 0.15000 0.15000 CUDP H2 15
41 6 1 0 0 0 0 0 0 0 0 0 0 -9.029120 -7.185240 12.645100 1XA 0 0.15000 0.15000 CUDP H3 16
42 7 1 0 0 0 0 0 0 0 0 0 0 -8.977640 -3.761700 11.804300 1XA 0 0.45000 0.45000 CUDP H4 17
25 [CUDPOG,25,25,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 5 2 0 0 0 0 0 0 0 0 0 0 -11.557900 -5.009350 15.103100 1XA 0 -0.38000 -0.38000 UNCH S1 1
25 5 1 6 1 9 1 0 0 0 0 0 0 -8.993690 -3.975200 15.299700 1XA 0 -0.47710 -0.47710 UNCH N1 2
25 4 2 5 1 0 0 0 0 0 0 0 0 -10.388200 -3.587150 17.052099 1XA 0 -0.21100 -0.21100 UNCH N3 3
25 3 2 6 1 0 0 0 0 0 0 0 0 -9.354480 -2.919920 17.299500 1XA 0 -0.24600 -0.24600 UNCH N4 4
2 1 2 2 1 3 1 0 0 0 0 0 0 -10.268000 -4.206070 15.821600 1XA 0 0.65100 0.65100 UNCH C2 5
3 2 1 4 1 7 1 8 1 0 0 0 0 -8.415000 -2.968890 16.152000 1XA 0 0.54610 0.54610 UNCH C5 6
3 6 1 23 1 24 1 25 1 0 0 0 0 -7.044170 -3.330720 16.731701 1XA 0 0.00000 0.00000 UNCH C6 7
3 6 1 20 1 21 1 22 1 0 0 0 0 -8.436400 -1.551460 15.558700 1XA 0 0.00000 0.00000 UNCH C7 8
2 2 1 10 2 14 1 0 0 0 0 0 0 -8.318810 -4.638620 14.233500 1XA 0 0.11700 0.11700 UNCH C8 9
2 9 2 11 1 15 1 0 0 0 0 0 0 -8.613910 -5.968310 13.897200 1XA 0 -0.15000 -0.15000 UNCH C9 10
2 10 1 12 2 16 1 0 0 0 0 0 0 -7.942100 -6.633710 12.863900 1XA 0 -0.15000 -0.15000 UNCH C10 11
2 11 2 13 1 17 1 0 0 0 0 0 0 -6.945160 -5.984890 12.148200 1XA 0 -0.15000 -0.15000 UNCH C11 12
2 12 1 14 2 18 1 0 0 0 0 0 0 -6.615640 -4.676370 12.475900 1XA 0 -0.15000 -0.15000 UNCH C12 13
2 9 1 13 2 19 1 0 0 0 0 0 0 -7.290590 -4.016450 13.511500 1XA 0 -0.15000 -0.15000 UNCH C13 14
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.339610 -6.549840 14.457100 1XA 0 0.15000 0.15000 UNCH H9 15
41 11 1 0 0 0 0 0 0 0 0 0 0 -8.197380 -7.664700 12.630900 1XA 0 0.15000 0.15000 UNCH H10 16
41 12 1 0 0 0 0 0 0 0 0 0 0 -6.423440 -6.498870 11.345500 1XA 0 0.15000 0.15000 UNCH H11 17
41 13 1 0 0 0 0 0 0 0 0 0 0 -5.833080 -4.160670 11.924500 1XA 0 0.15000 0.15000 UNCH H12 18
41 14 1 0 0 0 0 0 0 0 0 0 0 -6.991020 -2.995190 13.704200 1XA 0 0.15000 0.15000 UNCH H13 19
41 8 1 0 0 0 0 0 0 0 0 0 0 -8.218330 -0.804202 16.331301 1XA 0 0.00000 0.00000 UNCH H61 20
41 8 1 0 0 0 0 0 0 0 0 0 0 -9.422690 -1.310670 15.144500 1XA 0 0.00000 0.00000 UNCH H62 21
41 8 1 0 0 0 0 0 0 0 0 0 0 -7.703150 -1.408410 14.763500 1XA 0 0.00000 0.00000 UNCH H63 22
41 7 1 0 0 0 0 0 0 0 0 0 0 -6.751700 -2.622400 17.515800 1XA 0 0.00000 0.00000 UNCH H71 23
41 7 1 0 0 0 0 0 0 0 0 0 0 -7.059460 -4.329020 17.184799 1XA 0 0.00000 0.00000 UNCH H72 24
41 7 1 0 0 0 0 0 0 0 0 0 0 -6.255840 -3.321500 15.974000 1XA 0 0.00000 0.00000 UNCH H73 25
11 [CUDREY,11,11,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 6 1 4 1 0 0 0 0 0 0 0 0 -9.471310 -5.308940 13.587000 1XA 0 -0.13300 -0.13300 CUDR S1 1
25 7 1 5 1 4 2 0 0 0 0 0 0 -8.307290 -3.569880 15.051400 1XA 0 -0.68300 -0.68300 CUDR N1 2
25 11 1 10 1 4 1 0 0 0 0 0 0 -10.625200 -3.655700 15.349200 1XA 0 -0.73200 -0.73200 CUDR N2 3
2 1 1 2 2 3 1 0 0 0 0 0 0 -9.513750 -4.064710 14.778000 1XA 0 0.82500 0.82500 CUDR C1 4
2 2 1 8 1 6 2 0 0 0 0 0 0 -7.296680 -4.167240 14.317500 1XA 0 0.18300 0.18300 CUDR C2 5
2 1 1 5 2 9 1 0 0 0 0 0 0 -7.761080 -5.141690 13.466200 1XA 0 -0.11000 -0.11000 CUDR C3 6
43 2 1 0 0 0 0 0 0 0 0 0 0 -8.171400 -2.829220 15.734000 1XA 0 0.45000 0.45000 CUDR H1 7
41 5 1 0 0 0 0 0 0 0 0 0 0 -6.260460 -3.866260 14.434300 1XA 0 0.15000 0.15000 CUDR H2 8
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.193730 -5.761580 12.783400 1XA 0 0.15000 0.15000 CUDR H3 9
43 3 1 0 0 0 0 0 0 0 0 0 0 -10.610000 -2.924540 16.042500 1XA 0 0.45000 0.45000 CUDR H4 10
43 3 1 0 0 0 0 0 0 0 0 0 0 -11.481600 -4.109410 15.057600 1XA 0 0.45000 0.45000 CUDR H5 11
37 [CUFFAK,37,37,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 10 1 15 1 0 0 0 0 0 0 0 0 -12.103200 -1.474990 18.571501 1XA 0 -0.53250 -0.53250 UNCH O1 1
2 4 2 28 1 37 1 0 0 0 0 0 0 -6.683220 -7.255380 15.827300 1XA 0 -0.15000 -0.15000 UNCH C17 2
16 12 1 31 1 0 0 0 0 0 0 0 0 -6.916130 -0.479359 10.868100 1XA 0 -0.53250 -0.53250 UNCH O2 3
2 2 2 6 1 30 1 0 0 0 0 0 0 -6.354740 -5.942710 16.206400 1XA 0 -0.15000 -0.15000 UNCH C18 4
16 11 1 34 1 0 0 0 0 0 0 0 0 -8.962490 -1.370100 15.009200 1XA 0 -0.16500 -0.16500 UNCH O3 5
2 4 1 32 1 35 2 0 0 0 0 0 0 -7.147750 -4.862500 15.805400 1XA 0 -0.15000 -0.15000 UNCH C19 6
16 8 1 23 1 0 0 0 0 0 0 0 0 -10.180400 -5.099840 13.743900 1XA 0 -0.43000 -0.43000 UNCH O4 7
2 7 1 9 2 36 1 0 0 0 0 0 0 -9.783210 -6.401110 13.850100 1XA 0 0.63380 0.63380 UNCH C20 8
15 8 2 0 0 0 0 0 0 0 0 0 0 -10.329900 -7.366860 13.357300 1XA 0 -0.57000 -0.57000 UNCH O5 9
42 1 1 0 0 0 0 0 0 0 0 0 0 -11.846300 -0.538168 18.582800 1XA 0 0.45000 0.45000 UNCH H1 10
2 5 1 13 2 21 1 0 0 0 0 0 0 -9.849230 -2.112810 15.751700 1XA 0 0.08250 0.08250 UNCH C1 11
42 3 1 0 0 0 0 0 0 0 0 0 0 -6.685040 -0.910378 10.028700 1XA 0 0.45000 0.45000 UNCH H2 12
2 11 2 14 1 15 1 0 0 0 0 0 0 -10.511600 -1.426410 16.773600 1XA 0 -0.15000 -0.15000 UNCH C2 13
41 13 1 0 0 0 0 0 0 0 0 0 0 -10.304100 -0.372512 16.928400 1XA 0 0.15000 0.15000 UNCH H3 14
2 1 1 13 1 17 2 0 0 0 0 0 0 -11.429600 -2.103440 17.566799 1XA 0 0.08250 0.08250 UNCH C3 15
41 17 1 0 0 0 0 0 0 0 0 0 0 -12.412700 -3.968530 17.983101 1XA 0 0.15000 0.15000 UNCH H4 16
2 15 2 16 1 19 1 0 0 0 0 0 0 -11.690500 -3.450910 17.357201 1XA 0 -0.15000 -0.15000 UNCH C4 17
41 19 1 0 0 0 0 0 0 0 0 0 0 -11.236600 -5.193300 16.198000 1XA 0 0.15000 0.15000 UNCH H5 18
2 17 1 18 1 21 2 0 0 0 0 0 0 -11.020700 -4.136720 16.342199 1XA 0 -0.15000 -0.15000 UNCH C5 19
41 27 1 0 0 0 0 0 0 0 0 0 0 -8.341830 -4.672860 11.863400 1XA 0 0.15000 0.15000 UNCH H6 20
2 11 1 19 2 23 1 0 0 0 0 0 0 -10.085800 -3.473800 15.525200 1XA 0 -0.14350 -0.14350 UNCH C6 21
41 29 1 0 0 0 0 0 0 0 0 0 0 -7.302630 -3.070530 10.329300 1XA 0 0.15000 0.15000 UNCH H7 22
3 7 1 21 1 25 1 35 1 0 0 0 0 -9.291520 -4.190720 14.450500 1XA 0 0.71050 0.71050 UNCH C7 23
41 33 1 0 0 0 0 0 0 0 0 0 0 -7.819660 0.069633 13.221700 1XA 0 0.15000 0.15000 UNCH H8 24
2 23 1 27 2 34 1 0 0 0 0 0 0 -8.693930 -3.223780 13.445700 1XA 0 -0.14350 -0.14350 UNCH C8 25
41 37 1 0 0 0 0 0 0 0 0 0 0 -8.078990 -8.509840 14.740000 1XA 0 0.15000 0.15000 UNCH H9 26
2 20 1 25 2 29 1 0 0 0 0 0 0 -8.237840 -3.636310 12.178600 1XA 0 -0.15000 -0.15000 UNCH C9 27
41 2 1 0 0 0 0 0 0 0 0 0 0 -6.054540 -8.082780 16.149599 1XA 0 0.15000 0.15000 UNCH H10 28
2 22 1 27 1 31 2 0 0 0 0 0 0 -7.643320 -2.726040 11.301100 1XA 0 -0.15000 -0.15000 UNCH C10 29
41 4 1 0 0 0 0 0 0 0 0 0 0 -5.473160 -5.765860 16.819799 1XA 0 0.15000 0.15000 UNCH H11 30
2 3 1 29 2 33 1 0 0 0 0 0 0 -7.495380 -1.400110 11.689600 1XA 0 0.08250 0.08250 UNCH C11 31
41 6 1 0 0 0 0 0 0 0 0 0 0 -6.888640 -3.849650 16.102400 1XA 0 0.15000 0.15000 UNCH H12 32
2 24 1 31 1 34 2 0 0 0 0 0 0 -7.937570 -0.971002 12.933900 1XA 0 -0.15000 -0.15000 UNCH C12 33
2 5 1 25 1 33 2 0 0 0 0 0 0 -8.543150 -1.879520 13.804100 1XA 0 0.08250 0.08250 UNCH C13 34
2 6 2 23 1 36 1 0 0 0 0 0 0 -8.266500 -5.119190 15.024600 1XA 0 -0.14350 -0.14350 UNCH C14 35
2 8 1 35 1 37 2 0 0 0 0 0 0 -8.575210 -6.414290 14.660800 1XA 0 0.08620 0.08620 UNCH C15 36
2 2 1 26 1 36 2 0 0 0 0 0 0 -7.809570 -7.502570 15.042100 1XA 0 -0.15000 -0.15000 UNCH C16 37
30 [CUGBEL,30,30,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 2 10 1 11 1 0 0 0 0 0 0 -9.581990 -4.434160 15.587600 1XA 0 0.18570 0.18570 UNCH C1 1
2 1 2 3 1 14 1 0 0 0 0 0 0 -9.048210 -3.607430 14.667500 1XA 0 0.06500 0.06500 UNCH C2 2
2 2 1 4 1 8 2 0 0 0 0 0 0 -7.654930 -3.811860 14.249900 1XA 0 -0.13820 -0.13820 UNCH C3 3
3 3 1 5 1 17 1 18 1 0 0 0 0 -7.080710 -2.918170 13.169800 1XA 0 0.13820 0.13820 UNCH C4 4
3 4 1 6 1 19 1 20 1 0 0 0 0 -5.749790 -3.416630 12.598400 1XA 0 0.00000 0.00000 UNCH C5 5
3 5 1 7 1 21 1 22 1 0 0 0 0 -4.821240 -3.898640 13.704400 1XA 0 0.00000 0.00000 UNCH C6 6
3 6 1 8 1 23 1 24 1 0 0 0 0 -5.463170 -5.037690 14.496600 1XA 0 0.13820 0.13820 UNCH C7 7
2 3 2 7 1 9 1 0 0 0 0 0 0 -6.908400 -4.782110 14.823800 1XA 0 -0.12380 -0.12380 UNCH C8 8
2 8 1 10 1 16 2 0 0 0 0 0 0 -7.516660 -5.664290 15.868100 1XA 0 0.61560 0.61560 UNCH C9 9
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29 [CUNVEM,29,29,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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19 [DADLEZ,19,19,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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2 3 2 8 1 5 1 0 0 0 0 0 0 -9.023370 -4.551870 14.790700 1XA 0 0.01440 0.01440 DADL C3 4
2 1 1 4 1 10 2 0 0 0 0 0 0 -9.422310 -4.103920 13.496100 1XA 0 0.07670 0.07670 DADL C4 5
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26 [DAGTUA,26,26,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 6 2 7 2 10 1 11 1 0 0 0 0 -10.592600 -4.393430 15.842800 1XA 0 1.33280 1.33280 UNCH S1 1
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41 4 1 0 0 0 0 0 0 0 0 0 0 -8.487580 -3.102420 13.391500 1XA 0 0.00000 0.00000 UNCH H22 10
41 5 1 0 0 0 0 0 0 0 0 0 0 -8.874330 -4.059900 17.559900 1XA 0 0.00000 0.00000 UNCH H31 11
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.120220 -3.938040 17.369600 1XA 0 0.00000 0.00000 UNCH H32 12
41 5 1 0 0 0 0 0 0 0 0 0 0 -8.009810 -2.659330 18.207001 1XA 0 0.00000 0.00000 UNCH H33 13
3 4 1 15 1 16 1 17 1 0 0 0 0 -9.423020 -4.779290 14.401800 1XA 0 -0.08050 -0.08050 UNCH C2A 14
60 14 1 18 1 19 1 20 1 0 0 0 0 -9.487160 -5.995710 12.952400 1XA 0 0.61160 0.61160 UNCH SI1A 15
41 14 1 0 0 0 0 0 0 0 0 0 0 -10.414200 -4.316110 14.480100 1XA 0 0.00000 0.00000 UNCH H21A 16
41 14 1 0 0 0 0 0 0 0 0 0 0 -9.280460 -5.364900 15.318400 1XA 0 0.00000 0.00000 UNCH H22A 17
57 15 1 0 0 0 0 0 0 0 0 0 0 -7.687940 -6.992110 12.890800 1XA 0 -0.37010 -0.37010 UNCH CL1A 18
3 15 1 21 1 22 1 23 1 0 0 0 0 -10.831100 -7.251560 13.225200 1XA 0 -0.08050 -0.08050 UNCH C1A 19
3 15 1 24 1 25 1 26 1 0 0 0 0 -9.716370 -5.103630 11.339500 1XA 0 -0.08050 -0.08050 UNCH C3A 20
41 19 1 0 0 0 0 0 0 0 0 0 0 -10.856900 -7.983700 12.412300 1XA 0 0.00000 0.00000 UNCH H11A 21
41 19 1 0 0 0 0 0 0 0 0 0 0 -10.678500 -7.794210 14.163200 1XA 0 0.00000 0.00000 UNCH H12A 22
41 19 1 0 0 0 0 0 0 0 0 0 0 -11.811800 -6.768440 13.273000 1XA 0 0.00000 0.00000 UNCH H13A 23
41 20 1 0 0 0 0 0 0 0 0 0 0 -8.893710 -4.407410 11.150100 1XA 0 0.00000 0.00000 UNCH H31A 24
41 20 1 0 0 0 0 0 0 0 0 0 0 -10.647800 -4.529280 11.340400 1XA 0 0.00000 0.00000 UNCH H32A 25
41 20 1 0 0 0 0 0 0 0 0 0 0 -9.758240 -5.807990 10.503000 1XA 0 0.00000 0.00000 UNCH H33A 26
31 [DAJXER,31,31,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 2 1 8 1 15 1 0 0 0 0 0 0 -9.251820 -4.191060 15.558700 1XA 0 -0.58510 -0.58510 UNCH N1 1
2 1 1 3 2 4 1 0 0 0 0 0 0 -10.123000 -3.148320 15.795300 1XA 0 0.69000 0.69000 UNCH C2 2
15 2 2 0 0 0 0 0 0 0 0 0 0 -10.974500 -3.170380 16.682899 1XA 0 -0.57000 -0.57000 UNCH O1 3
25 2 1 5 1 18 1 0 0 0 0 0 0 -10.018100 -2.050620 14.991900 1XA 0 -0.49000 -0.49000 UNCH N3 4
2 4 1 6 2 7 1 0 0 0 0 0 0 -9.349490 -1.914080 13.798000 1XA 0 0.57700 0.57700 UNCH C4 5
15 5 2 0 0 0 0 0 0 0 0 0 0 -9.503180 -0.875527 13.146400 1XA 0 -0.57000 -0.57000 UNCH O2 6
3 5 1 8 1 9 1 13 1 0 0 0 0 -8.411070 -3.080120 13.401900 1XA 0 0.05300 0.05300 UNCH C5 7
3 1 1 7 1 14 1 19 1 0 0 0 0 -8.280610 -4.226790 14.436100 1XA 0 0.22500 0.22500 UNCH C6 8
3 7 1 23 1 24 1 25 1 0 0 0 0 -7.026680 -2.551350 12.990500 1XA 0 0.00000 0.00000 UNCH C7 9
25 11 1 14 1 17 1 0 0 0 0 0 0 -9.787600 -6.013540 13.439600 1XA 0 -0.66410 -0.66410 UNCH N11 10
2 10 1 12 2 20 1 0 0 0 0 0 0 -10.763000 -5.250910 12.870200 1XA 0 0.44000 0.44000 UNCH C21 11
25 11 2 13 1 0 0 0 0 0 0 0 0 -10.421000 -4.158610 12.262300 1XA 0 -0.73700 -0.73700 UNCH N31 12
3 7 1 12 1 14 1 21 1 0 0 0 0 -8.948340 -4.096780 12.363200 1XA 0 0.28700 0.28700 UNCH C41 13
3 8 1 10 1 13 1 22 1 0 0 0 0 -8.565870 -5.264920 13.316700 1XA 0 0.24500 0.24500 UNCH C51 14
3 1 1 16 1 26 1 27 1 0 0 0 0 -9.378120 -5.401510 16.366899 1XA 0 0.30010 0.30010 UNCH C8 15
3 15 1 17 1 28 1 29 1 0 0 0 0 -10.423000 -6.361270 15.802900 1XA 0 0.00000 0.00000 UNCH C9 16
3 10 1 16 1 30 1 31 1 0 0 0 0 -9.992560 -6.993410 14.481700 1XA 0 0.36910 0.36910 UNCH C10 17
43 4 1 0 0 0 0 0 0 0 0 0 0 -10.686800 -1.319980 15.184400 1XA 0 0.37000 0.37000 UNCH H3 18
41 8 1 0 0 0 0 0 0 0 0 0 0 -7.267820 -4.329400 14.848900 1XA 0 0.00000 0.00000 UNCH H6 19
41 11 1 0 0 0 0 0 0 0 0 0 0 -11.801300 -5.599790 12.989200 1XA 0 0.06000 0.06000 UNCH H21 20
41 13 1 0 0 0 0 0 0 0 0 0 0 -8.460400 -4.107230 11.383500 1XA 0 0.00000 0.00000 UNCH H41 21
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.711430 -5.870440 13.001400 1XA 0 0.00000 0.00000 UNCH H51 22
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.341830 -3.364910 12.725700 1XA 0 0.00000 0.00000 UNCH H71 23
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.105760 -1.889330 12.121200 1XA 0 0.00000 0.00000 UNCH H72 24
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.570790 -1.983470 13.809000 1XA 0 0.00000 0.00000 UNCH H73 25
41 15 1 0 0 0 0 0 0 0 0 0 0 -8.396400 -5.884980 16.431700 1XA 0 0.00000 0.00000 UNCH H81 26
41 15 1 0 0 0 0 0 0 0 0 0 0 -9.662280 -5.118340 17.387100 1XA 0 0.00000 0.00000 UNCH H82 27
41 16 1 0 0 0 0 0 0 0 0 0 0 -11.382000 -5.844460 15.676500 1XA 0 0.00000 0.00000 UNCH H91 28
41 16 1 0 0 0 0 0 0 0 0 0 0 -10.588100 -7.164740 16.530600 1XA 0 0.00000 0.00000 UNCH H92 29
41 17 1 0 0 0 0 0 0 0 0 0 0 -9.074080 -7.574860 14.626400 1XA 0 0.00000 0.00000 UNCH H101 30
41 17 1 0 0 0 0 0 0 0 0 0 0 -10.761600 -7.705020 14.158600 1XA 0 0.00000 0.00000 UNCH H102 31
34 [DAKBAS,34,34,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
51 8 1 0 0 0 0 0 0 0 0 0 0 -10.196000 -5.894080 17.948299 1XA 0 -0.95000 -0.95000 DAKB S1 1
15 21 2 0 0 0 0 0 0 0 0 0 0 -6.162300 -5.555980 12.407500 1XA 0 -0.57000 -0.57000 DAKB O1 2
18 7 1 0 0 0 0 0 0 0 0 0 0 -9.619580 -5.930860 10.894100 1XA 0 -0.52000 -0.52000 DAKB O2 3
15 7 2 0 0 0 0 0 0 0 0 0 0 -11.422600 -4.731070 10.530000 1XA 0 -0.52000 -0.52000 DAKB O3 4
25 23 1 9 1 8 1 0 0 0 0 0 0 -8.064000 -6.017610 16.363701 1XA 0 -0.60000 -0.60000 DAKB N1 5
24 13 3 0 0 0 0 0 0 0 0 0 0 -12.581900 -5.290660 14.764900 1XA 0 -0.55710 -0.55710 DAKB N2 6
31 3 1 4 2 20 1 0 0 0 0 0 0 -10.330400 -4.933570 11.078900 1XA 0 0.90700 0.90700 DAKB N3 7
2 1 1 5 1 12 2 0 0 0 0 0 0 -9.437460 -5.823030 16.370001 1XA 0 0.05000 0.05000 DAKB C1 8
2 5 1 14 1 10 2 0 0 0 0 0 0 -7.265450 -6.230360 15.262300 1XA 0 -0.03820 -0.03820 DAKB C2 9
2 9 2 21 1 11 1 0 0 0 0 0 0 -7.797580 -6.044520 14.038700 1XA 0 -0.12380 -0.12380 DAKB C3 10
3 10 1 24 1 15 1 12 1 0 0 0 0 -9.234620 -5.576230 13.866400 1XA 0 0.41990 0.41990 DAKB C4 11
2 8 2 11 1 13 1 0 0 0 0 0 0 -10.046600 -5.613760 15.171800 1XA 0 -0.07320 -0.07320 DAKB C5 12
1 6 3 12 1 0 0 0 0 0 0 0 0 -11.460800 -5.440550 15.035800 1XA 0 0.49210 0.49210 DAKB C6 13
3 9 1 27 1 26 1 25 1 0 0 0 0 -5.858780 -6.679790 15.544300 1XA 0 0.13820 0.13820 DAKB C7 14
2 11 1 20 1 16 2 0 0 0 0 0 0 -9.282360 -4.176810 13.231300 1XA 0 -0.14350 -0.14350 DAKB C8 15
2 15 2 28 1 17 1 0 0 0 0 0 0 -8.786010 -3.083150 13.975600 1XA 0 -0.15000 -0.15000 DAKB C9 16
2 16 1 29 1 18 2 0 0 0 0 0 0 -8.830470 -1.777090 13.479500 1XA 0 -0.15000 -0.15000 DAKB C10 17
2 17 2 30 1 19 1 0 0 0 0 0 0 -9.372600 -1.521700 12.224200 1XA 0 -0.15000 -0.15000 DAKB C11 18
2 18 1 31 1 20 2 0 0 0 0 0 0 -9.867010 -2.575330 11.459600 1XA 0 -0.15000 -0.15000 DAKB C12 19
2 7 1 15 1 19 2 0 0 0 0 0 0 -9.816880 -3.889930 11.959400 1XA 0 0.13300 0.13300 DAKB C13 20
2 2 2 10 1 22 1 0 0 0 0 0 0 -7.010000 -6.345340 12.820500 1XA 0 0.49460 0.49460 DAKB C14 21
3 21 1 34 1 33 1 32 1 0 0 0 0 -7.256380 -7.670200 12.149300 1XA 0 0.06100 0.06100 DAKB C15 22
43 5 1 0 0 0 0 0 0 0 0 0 0 -7.731590 -6.263420 17.293200 1XA 0 0.40000 0.40000 DAKB H1 23
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.724800 -6.311160 13.218900 1XA 0 0.00000 0.00000 DAKB H4 24
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.869920 -7.607680 16.126400 1XA 0 0.00000 0.00000 DAKB H17 25
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.272260 -6.869020 14.641500 1XA 0 0.00000 0.00000 DAKB H27 26
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.330960 -5.916520 16.126101 1XA 0 0.00000 0.00000 DAKB H37 27
41 16 1 0 0 0 0 0 0 0 0 0 0 -8.367450 -3.245530 14.971200 1XA 0 0.15000 0.15000 DAKB H9 28
41 17 1 0 0 0 0 0 0 0 0 0 0 -8.446150 -0.961018 14.087000 1XA 0 0.15000 0.15000 DAKB H10 29
41 18 1 0 0 0 0 0 0 0 0 0 0 -9.411190 -0.504024 11.845300 1XA 0 0.15000 0.15000 DAKB H11 30
41 19 1 0 0 0 0 0 0 0 0 0 0 -10.288400 -2.368210 10.478100 1XA 0 0.15000 0.15000 DAKB H12 31
41 22 1 0 0 0 0 0 0 0 0 0 0 -7.330580 -7.521060 11.069100 1XA 0 0.00000 0.00000 DAKB H115 32
41 22 1 0 0 0 0 0 0 0 0 0 0 -8.186770 -8.125190 12.499600 1XA 0 0.00000 0.00000 DAKB H215 33
41 22 1 0 0 0 0 0 0 0 0 0 0 -6.426000 -8.344680 12.373900 1XA 0 0.00000 0.00000 DAKB H315 34
20 [DAKCEX,20,20,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 9 2 2 1 0 0 0 0 0 0 0 0 -9.372170 -7.327580 15.438900 1XA 0 -0.33810 -0.33810 DAKC N1 1
25 1 1 3 2 0 0 0 0 0 0 0 0 -10.300900 -7.484400 16.445101 1XA 0 0.00000 0.00000 DAKC N2 2
25 2 2 4 1 0 0 0 0 0 0 0 0 -10.847000 -6.321060 16.784800 1XA 0 -0.41800 -0.41800 DAKC N3 3
25 3 1 9 1 5 1 0 0 0 0 0 0 -10.266300 -5.411550 15.992800 1XA 0 0.77160 0.77160 DAKC N4 4
25 4 1 6 2 0 0 0 0 0 0 0 0 -10.566500 -4.092390 16.043100 1XA 0 -0.65200 -0.65200 DAKC N5 5
2 5 2 14 1 7 1 0 0 0 0 0 0 -9.904230 -3.354290 15.199800 1XA 0 0.57480 0.57480 DAKC C6 6
2 6 1 10 2 8 1 0 0 0 0 0 0 -8.877090 -3.870540 14.225300 1XA 0 0.08620 0.08620 DAKC C7 7
2 7 1 13 2 9 1 0 0 0 0 0 0 -8.617870 -5.249980 14.230100 1XA 0 0.05300 0.05300 DAKC C8 8
2 1 2 4 1 8 1 0 0 0 0 0 0 -9.364040 -6.041390 15.172200 1XA 0 0.13350 0.13350 DAKC C9 9
2 7 2 20 1 11 1 0 0 0 0 0 0 -8.191590 -3.034980 13.338100 1XA 0 -0.15000 -0.15000 DAKC C10 10
2 10 1 19 1 12 2 0 0 0 0 0 0 -7.251760 -3.583330 12.461700 1XA 0 -0.15000 -0.15000 DAKC C11 11
2 11 2 18 1 13 1 0 0 0 0 0 0 -6.996550 -4.957080 12.469600 1XA 0 -0.15000 -0.15000 DAKC C12 12
2 8 2 12 1 17 1 0 0 0 0 0 0 -7.678580 -5.794600 13.353600 1XA 0 -0.15000 -0.15000 DAKC C13 13
25 6 1 15 2 0 0 0 0 0 0 0 0 -10.116800 -1.998670 15.150800 1XA 0 -0.52890 -0.52890 DAKC N14 14
204 14 2 16 2 0 0 0 0 0 0 0 0 -10.964800 -1.572170 15.955300 1XA 0 0.68790 0.68790 DAKC N15 15
201 15 2 0 0 0 0 0 0 0 0 0 0 -11.734500 -1.138000 16.676001 1XA 0 -0.37000 -0.37000 DAKC N16 16
41 13 1 0 0 0 0 0 0 0 0 0 0 -7.474490 -6.863910 13.354000 1XA 0 0.15000 0.15000 DAKC H1 17
41 12 1 0 0 0 0 0 0 0 0 0 0 -6.262860 -5.376260 11.783700 1XA 0 0.15000 0.15000 DAKC H2 18
41 11 1 0 0 0 0 0 0 0 0 0 0 -6.714920 -2.938140 11.768800 1XA 0 0.15000 0.15000 DAKC H3 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -8.375540 -1.963560 13.316100 1XA 0 0.15000 0.15000 DAKC H4 20
36 [DAKDOI,36,36,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 1 18 1 22 2 0 0 0 0 0 0 1.575530 -3.362640 7.883290 1XA 0 0.54380 0.54380 UNCH C1 1
2 1 1 3 2 7 1 0 0 0 0 0 0 1.493500 -2.094270 7.114070 1XA 0 0.08620 0.08620 UNCH C2 2
2 2 2 4 1 26 1 0 0 0 0 0 0 1.570680 -0.870204 7.789470 1XA 0 -0.15000 -0.15000 UNCH C3 3
2 3 1 5 2 27 1 0 0 0 0 0 0 1.491380 0.326353 7.074570 1XA 0 -0.15000 -0.15000 UNCH C4 4
2 4 2 6 1 17 1 0 0 0 0 0 0 1.330860 0.296089 5.690310 1XA 0 0.17700 0.17700 UNCH C5 5
2 5 1 7 2 28 1 0 0 0 0 0 0 1.245980 -0.920196 5.010210 1XA 0 -0.15000 -0.15000 UNCH C6 6
2 2 1 6 2 8 1 0 0 0 0 0 0 1.328210 -2.130020 5.718990 1XA 0 -0.14350 -0.14350 UNCH C7 7
3 7 1 9 1 19 1 29 1 0 0 0 0 1.208430 -3.464580 5.002130 1XA 0 0.51260 0.51260 UNCH C8 8
3 8 1 10 1 30 1 31 1 0 0 0 0 -0.263080 -3.864950 4.869880 1XA 0 0.06100 0.06100 UNCH C9 9
2 9 1 23 2 24 1 0 0 0 0 0 0 -0.415232 -5.094260 4.030400 1XA 0 0.65900 0.65900 UNCH C10 10
2 12 1 16 2 19 1 0 0 0 0 0 0 3.304260 -4.745500 5.408200 1XA 0 0.10000 0.10000 UNCH C11 11
2 11 1 13 2 32 1 0 0 0 0 0 0 3.643230 -4.987730 4.065510 1XA 0 -0.15000 -0.15000 UNCH C12 12
2 12 2 14 1 33 1 0 0 0 0 0 0 4.955060 -5.259190 3.648590 1XA 0 -0.15000 -0.15000 UNCH C13 13
2 13 1 15 2 25 1 0 0 0 0 0 0 5.949840 -5.300170 4.628310 1XA 0 0.04000 0.04000 UNCH C14 14
2 14 2 16 1 20 1 0 0 0 0 0 0 5.672980 -5.089920 5.979120 1XA 0 0.22720 0.22720 UNCH C15 15
2 11 2 15 1 34 1 0 0 0 0 0 0 4.339630 -4.821470 6.361620 1XA 0 -0.15000 -0.15000 UNCH C16 16
57 5 1 0 0 0 0 0 0 0 0 0 0 1.229430 1.770310 4.809740 1XA 0 -0.17700 -0.17700 UNCH CL1 17
25 1 1 19 1 35 1 0 0 0 0 0 0 1.683060 -4.523640 7.146320 1XA 0 -0.41000 -0.41000 UNCH N1 18
25 8 1 11 1 18 1 0 0 0 0 0 0 1.956030 -4.495360 5.766290 1XA 0 -0.48910 -0.48910 UNCH N2 19
25 15 1 21 2 0 0 0 0 0 0 0 0 6.776000 -5.171370 6.822510 1XA 0 -0.22720 -0.22720 UNCH N3 20
25 20 2 25 1 0 0 0 0 0 0 0 0 7.887810 -5.436620 6.158660 1XA 0 -0.22070 -0.22070 UNCH N4 21
15 1 2 0 0 0 0 0 0 0 0 0 0 1.538260 -3.370400 9.107900 1XA 0 -0.57000 -0.57000 UNCH O1 22
15 10 2 0 0 0 0 0 0 0 0 0 0 -1.011330 -6.111340 4.341770 1XA 0 -0.57000 -0.57000 UNCH O2 23
16 10 1 36 1 0 0 0 0 0 0 0 0 0.110001 -4.968100 2.796140 1XA 0 -0.65000 -0.65000 UNCH O3 24
49 14 1 21 1 0 0 0 0 0 0 0 0 7.642060 -5.597270 4.514200 1XA 0 0.18070 0.18070 UNCH S1 25
41 3 1 0 0 0 0 0 0 0 0 0 0 1.694900 -0.847330 8.870770 1XA 0 0.15000 0.15000 UNCH H3 26
41 4 1 0 0 0 0 0 0 0 0 0 0 1.554960 1.274320 7.603130 1XA 0 0.15000 0.15000 UNCH H4 27
41 6 1 0 0 0 0 0 0 0 0 0 0 1.116120 -0.923226 3.930030 1XA 0 0.15000 0.15000 UNCH H6 28
41 8 1 0 0 0 0 0 0 0 0 0 0 1.635000 -3.335680 4.000840 1XA 0 0.00000 0.00000 UNCH H8 29
41 9 1 0 0 0 0 0 0 0 0 0 0 -0.856796 -3.069140 4.403850 1XA 0 0.00000 0.00000 UNCH H91 30
41 9 1 0 0 0 0 0 0 0 0 0 0 -0.716893 -4.063490 5.848600 1XA 0 0.00000 0.00000 UNCH H92 31
41 12 1 0 0 0 0 0 0 0 0 0 0 2.868740 -4.999670 3.300480 1XA 0 0.15000 0.15000 UNCH H12 32
41 13 1 0 0 0 0 0 0 0 0 0 0 5.182650 -5.442640 2.603260 1XA 0 0.15000 0.15000 UNCH H13 33
41 16 1 0 0 0 0 0 0 0 0 0 0 4.155510 -4.657030 7.418230 1XA 0 0.15000 0.15000 UNCH H16 34
43 18 1 0 0 0 0 0 0 0 0 0 0 1.786470 -5.412970 7.626090 1XA 0 0.37000 0.37000 UNCH H10 35
42 24 1 0 0 0 0 0 0 0 0 0 0 -0.123463 -5.818450 2.362290 1XA 0 0.50000 0.50000 UNCH H30 36
17 [DANCUQ,17,17,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
60 2 1 3 1 10 1 11 1 0 0 0 0 -8.883970 -4.234820 14.354900 1XA 0 1.32000 1.32000 DAKF SI1 1
49 1 1 4 1 0 0 0 0 0 0 0 0 -10.035200 -5.573820 13.197500 1XA 0 -0.56000 -0.56000 DAKF S1 2
49 1 1 5 1 0 0 0 0 0 0 0 0 -10.044700 -2.895840 15.502900 1XA 0 -0.56000 -0.56000 DAKF S2 3
3 2 1 6 1 7 1 12 1 0 0 0 0 -9.099410 -7.089180 13.619300 1XA 0 0.23000 0.23000 DAKF C1 4
3 3 1 8 1 9 1 13 1 0 0 0 0 -9.105490 -1.380460 15.088800 1XA 0 0.23000 0.23000 DAKF C2 5
41 4 1 0 0 0 0 0 0 0 0 0 0 -8.225860 -7.160270 12.960600 1XA 0 0.00000 0.00000 DAKF H11 6
41 4 1 0 0 0 0 0 0 0 0 0 0 -9.734030 -7.957420 13.414800 1XA 0 0.00000 0.00000 DAKF H12 7
41 5 1 0 0 0 0 0 0 0 0 0 0 -8.237390 -1.309360 15.754700 1XA 0 0.00000 0.00000 DAKF H21 8
41 5 1 0 0 0 0 0 0 0 0 0 0 -9.741790 -0.512237 15.288100 1XA 0 0.00000 0.00000 DAKF H22 9
49 1 1 12 1 0 0 0 0 0 0 0 0 -7.732700 -5.573800 15.512400 1XA 0 -0.56000 -0.56000 DAKF S1B 10
49 1 1 13 1 0 0 0 0 0 0 0 0 -7.723250 -2.895820 13.207000 1XA 0 -0.56000 -0.56000 DAKF S2B 11
3 4 1 10 1 14 1 15 1 0 0 0 0 -8.668500 -7.089180 15.090600 1XA 0 0.23000 0.23000 DAKF C1B 12
3 5 1 11 1 16 1 17 1 0 0 0 0 -8.662500 -1.380460 13.621100 1XA 0 0.23000 0.23000 DAKF C2B 13
41 12 1 0 0 0 0 0 0 0 0 0 0 -9.542040 -7.160280 15.749300 1XA 0 0.00000 0.00000 DAKF H11B 14
41 12 1 0 0 0 0 0 0 0 0 0 0 -8.033860 -7.957400 15.295100 1XA 0 0.00000 0.00000 DAKF H12B 15
41 13 1 0 0 0 0 0 0 0 0 0 0 -9.530600 -1.309370 12.955200 1XA 0 0.00000 0.00000 DAKF H21B 16
41 13 1 0 0 0 0 0 0 0 0 0 0 -8.026220 -0.512225 13.421800 1XA 0 0.00000 0.00000 DAKF H22B 17
29 [DAPSUO03,29,29,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 12 1 6 1 3 2 2 2 0 0 0 0 -6.493720 -5.895870 13.597700 1XA 0 1.31800 1.31800 DAPS S1 1
15 1 2 0 0 0 0 0 0 0 0 0 0 -6.396830 -6.076510 12.160100 1XA 0 -0.65000 -0.65000 DAPS O1 2
15 1 2 0 0 0 0 0 0 0 0 0 0 -5.423070 -6.349820 14.467300 1XA 0 -0.65000 -0.65000 DAPS O2 3
25 27 1 26 1 9 1 0 0 0 0 0 0 -11.504800 -8.660930 15.298100 1XA 0 -0.90000 -0.90000 DAPS N1 4
25 29 1 28 1 15 1 0 0 0 0 0 0 -7.142200 -0.054714 14.650400 1XA 0 -0.90000 -0.90000 DAPS N2 5
2 1 1 11 2 7 1 0 0 0 0 0 0 -7.994900 -6.689710 14.124800 1XA 0 -0.00900 -0.00900 DAPS C1 6
2 6 1 18 1 8 2 0 0 0 0 0 0 -8.046910 -7.331750 15.362700 1XA 0 -0.15000 -0.15000 DAPS C2 7
2 7 2 19 1 9 1 0 0 0 0 0 0 -9.229920 -7.961310 15.759100 1XA 0 -0.15000 -0.15000 DAPS C3 8
2 4 1 8 1 10 2 0 0 0 0 0 0 -10.368000 -7.926700 14.946400 1XA 0 0.10000 0.10000 DAPS C4 9
2 9 2 20 1 11 1 0 0 0 0 0 0 -10.273800 -7.341120 13.679600 1XA 0 -0.15000 -0.15000 DAPS C5 10
2 6 2 10 1 21 1 0 0 0 0 0 0 -9.097950 -6.707500 13.269300 1XA 0 -0.15000 -0.15000 DAPS C6 11
2 1 1 17 1 13 2 0 0 0 0 0 0 -6.723730 -4.161090 13.912700 1XA 0 -0.00900 -0.00900 DAPS C7 12
2 12 2 22 1 14 1 0 0 0 0 0 0 -6.504780 -3.662780 15.198200 1XA 0 -0.15000 -0.15000 DAPS C8 13
2 13 1 23 1 15 2 0 0 0 0 0 0 -6.674850 -2.297600 15.442700 1XA 0 -0.15000 -0.15000 DAPS C9 14
2 5 1 14 2 16 1 0 0 0 0 0 0 -7.092590 -1.433810 14.424900 1XA 0 0.10000 0.10000 DAPS C10 15
2 15 1 24 1 17 2 0 0 0 0 0 0 -7.236520 -1.939510 13.128600 1XA 0 -0.15000 -0.15000 DAPS C11 16
2 12 1 16 2 25 1 0 0 0 0 0 0 -7.070200 -3.302470 12.868600 1XA 0 -0.15000 -0.15000 DAPS C12 17
41 7 1 0 0 0 0 0 0 0 0 0 0 -7.176990 -7.366240 16.014500 1XA 0 0.15000 0.15000 DAPS H1 18
41 8 1 0 0 0 0 0 0 0 0 0 0 -9.254450 -8.487560 16.710300 1XA 0 0.15000 0.15000 DAPS H2 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -11.118600 -7.380380 12.996200 1XA 0 0.15000 0.15000 DAPS H3 20
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.047960 -6.254590 12.281900 1XA 0 0.15000 0.15000 DAPS H4 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -6.183830 -4.317310 16.005199 1XA 0 0.15000 0.15000 DAPS H5 22
41 14 1 0 0 0 0 0 0 0 0 0 0 -6.471080 -1.909920 16.437901 1XA 0 0.15000 0.15000 DAPS H6 23
41 16 1 0 0 0 0 0 0 0 0 0 0 -7.474660 -1.270500 12.305200 1XA 0 0.15000 0.15000 DAPS H7 24
41 17 1 0 0 0 0 0 0 0 0 0 0 -7.193910 -3.673560 11.853800 1XA 0 0.15000 0.15000 DAPS H8 25
43 4 1 0 0 0 0 0 0 0 0 0 0 -12.357700 -8.353780 14.841300 1XA 0 0.40000 0.40000 DAPS H9 26
43 4 1 0 0 0 0 0 0 0 0 0 0 -11.625800 -8.789090 16.297800 1XA 0 0.40000 0.40000 DAPS H10 27
43 5 1 0 0 0 0 0 0 0 0 0 0 -7.723070 0.454902 13.992100 1XA 0 0.40000 0.40000 DAPS H11 28
43 5 1 0 0 0 0 0 0 0 0 0 0 -7.330570 0.204079 15.613700 1XA 0 0.40000 0.40000 DAPS H12 29
30 [DARDEF,30,30,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
3 2 1 8 1 17 1 18 1 0 0 0 0 -8.109820 -4.658320 11.267200 1XA 0 0.23000 0.23000 UNCH C1 1
49 1 1 3 1 0 0 0 0 0 0 0 0 -6.718820 -5.485470 12.094900 1XA 0 -0.37100 -0.37100 UNCH S2 2
2 2 1 4 1 9 2 0 0 0 0 0 0 -7.198950 -4.902390 13.691800 1XA 0 0.64100 0.64100 UNCH C3 3
25 3 1 5 1 8 1 0 0 0 0 0 0 -8.250250 -4.031910 13.583700 1XA 0 -0.78820 -0.78820 UNCH N4 4
3 4 1 6 1 11 1 19 1 0 0 0 0 -8.445200 -2.971250 14.567500 1XA 0 0.78010 0.78010 UNCH C5 5
49 5 1 7 1 0 0 0 0 0 0 0 0 -8.083680 -1.400320 13.652400 1XA 0 -0.46000 -0.46000 UNCH S6 6
3 6 1 8 1 20 1 21 1 0 0 0 0 -7.901270 -2.226750 12.047600 1XA 0 0.23000 0.23000 UNCH C7 7
3 1 1 4 1 7 1 22 1 0 0 0 0 -8.583230 -3.580990 12.235500 1XA 0 0.36910 0.36910 UNCH C8 8
25 3 2 10 1 0 0 0 0 0 0 0 0 -6.631510 -5.226760 14.797100 1XA 0 -0.69600 -0.69600 UNCH N9 9
3 9 1 23 1 24 1 25 1 0 0 0 0 -5.517060 -6.160630 14.795200 1XA 0 0.24600 0.24600 UNCH C10 10
2 5 1 12 2 15 1 0 0 0 0 0 0 -9.829740 -2.889700 15.175300 1XA 0 0.04620 0.04620 UNCH C11 11
2 11 2 13 1 16 1 0 0 0 0 0 0 -10.189900 -2.883200 16.514700 1XA 0 -0.33160 -0.33160 UNCH C12 12
25 12 1 14 1 26 1 0 0 0 0 0 0 -11.559800 -2.809770 16.517000 1XA 0 0.03320 0.03320 UNCH N13 13
2 13 1 15 2 27 1 0 0 0 0 0 0 -11.980500 -2.781970 15.219600 1XA 0 0.03650 0.03650 UNCH C14 14
25 11 1 14 2 0 0 0 0 0 0 0 0 -10.970800 -2.831940 14.384400 1XA 0 -0.56530 -0.56530 UNCH N15 15
3 12 1 28 1 29 1 30 1 0 0 0 0 -9.380970 -2.945450 17.752701 1XA 0 0.18000 0.18000 UNCH C16 16
41 1 1 0 0 0 0 0 0 0 0 0 0 -8.895720 -5.406300 11.118800 1XA 0 0.00000 0.00000 UNCH H11 17
41 1 1 0 0 0 0 0 0 0 0 0 0 -7.818880 -4.259650 10.291300 1XA 0 0.00000 0.00000 UNCH H12 18
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.707890 -3.027530 15.375700 1XA 0 0.00000 0.00000 UNCH H5 19
41 7 1 0 0 0 0 0 0 0 0 0 0 -6.832600 -2.324570 11.831500 1XA 0 0.00000 0.00000 UNCH H71 20
41 7 1 0 0 0 0 0 0 0 0 0 0 -8.365720 -1.643600 11.247400 1XA 0 0.00000 0.00000 UNCH H72 21
41 8 1 0 0 0 0 0 0 0 0 0 0 -9.668290 -3.458340 12.125100 1XA 0 0.00000 0.00000 UNCH H8 22
41 10 1 0 0 0 0 0 0 0 0 0 0 -5.187170 -6.316530 15.827500 1XA 0 0.00000 0.00000 UNCH H101 23
41 10 1 0 0 0 0 0 0 0 0 0 0 -4.658720 -5.767730 14.240600 1XA 0 0.00000 0.00000 UNCH H102 24
41 10 1 0 0 0 0 0 0 0 0 0 0 -5.806620 -7.140070 14.400700 1XA 0 0.00000 0.00000 UNCH H103 25
43 13 1 0 0 0 0 0 0 0 0 0 0 -12.158400 -2.786770 17.330999 1XA 0 0.27000 0.27000 UNCH H13 26
41 14 1 0 0 0 0 0 0 0 0 0 0 -13.026300 -2.727060 14.948800 1XA 0 0.15000 0.15000 UNCH H14 27
41 16 1 0 0 0 0 0 0 0 0 0 0 -8.788410 -3.865560 17.774900 1XA 0 0.00000 0.00000 UNCH H161 28
41 16 1 0 0 0 0 0 0 0 0 0 0 -10.010900 -2.926930 18.647800 1XA 0 0.00000 0.00000 UNCH H162 29
41 16 1 0 0 0 0 0 0 0 0 0 0 -8.695820 -2.093320 17.803301 1XA 0 0.00000 0.00000 UNCH H163 30
39 [DARPOB10,39,39,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
53 8 2 2 1 0 0 0 0 0 0 0 0 -9.450400 -5.419670 14.654600 1XA 0 -0.59640 -0.59640 A1 P1 1
60 1 1 7 1 6 1 5 1 0 0 0 0 -8.863780 -5.323400 16.819500 1XA 0 0.59050 0.59050 A1 SI1 2
26 10 1 9 1 8 1 0 0 0 0 0 0 -8.647280 -2.793620 14.796100 1XA 0 -0.78820 -0.78820 A1 N1 3
26 13 1 11 1 8 1 0 0 0 0 0 0 -9.332290 -3.561720 12.712400 1XA 0 -0.78820 -0.78820 A1 N2 4
3 2 1 17 1 16 1 15 1 0 0 0 0 -9.087710 -7.071690 17.505699 1XA 0 -0.08050 -0.08050 A1 C1 5
3 2 1 20 1 19 1 18 1 0 0 0 0 -7.068730 -4.853630 17.042601 1XA 0 -0.08050 -0.08050 A1 C2 6
3 2 1 23 1 22 1 21 1 0 0 0 0 -9.970330 -4.183990 17.802200 1XA 0 -0.08050 -0.08050 A1 C3 7
2 1 2 3 1 4 1 0 0 0 0 0 0 -9.135170 -3.849380 14.055000 1XA 0 0.34740 0.34740 A1 C4 8
3 3 1 26 1 25 1 24 1 0 0 0 0 -9.585610 -1.724110 15.151900 1XA 0 0.36910 0.36910 A1 C5 9
3 3 1 39 1 28 1 27 1 0 0 0 0 -7.339880 -2.254160 14.400900 1XA 0 0.36910 0.36910 A1 C6 10
3 4 1 30 1 29 1 12 1 0 0 0 0 -10.671000 -3.132320 12.265600 1XA 0 0.36910 0.36910 A1 C7 11
3 11 1 33 1 32 1 31 1 0 0 0 0 -11.527000 -4.253890 11.697500 1XA 0 0.00000 0.00000 A1 C8 12
3 4 1 35 1 34 1 14 1 0 0 0 0 -8.488540 -4.250430 11.718200 1XA 0 0.36910 0.36910 A1 C9 13
3 13 1 38 1 37 1 36 1 0 0 0 0 -8.153090 -3.345330 10.542700 1XA 0 0.00000 0.00000 A1 C10 14
41 5 1 0 0 0 0 0 0 0 0 0 0 -10.128600 -7.394730 17.409401 1XA 0 0.00000 0.00000 A1 H11 15
41 5 1 0 0 0 0 0 0 0 0 0 0 -8.816510 -7.098580 18.565399 1XA 0 0.00000 0.00000 A1 H12 16
41 5 1 0 0 0 0 0 0 0 0 0 0 -8.450780 -7.782050 16.970200 1XA 0 0.00000 0.00000 A1 H13 17
41 6 1 0 0 0 0 0 0 0 0 0 0 -6.901150 -3.793570 16.837000 1XA 0 0.00000 0.00000 A1 H21 18
41 6 1 0 0 0 0 0 0 0 0 0 0 -6.422570 -5.438210 16.380800 1XA 0 0.00000 0.00000 A1 H22 19
41 6 1 0 0 0 0 0 0 0 0 0 0 -6.751410 -5.041900 18.073099 1XA 0 0.00000 0.00000 A1 H23 20
41 7 1 0 0 0 0 0 0 0 0 0 0 -9.737570 -3.133960 17.610901 1XA 0 0.00000 0.00000 A1 H31 21
41 7 1 0 0 0 0 0 0 0 0 0 0 -9.838510 -4.357410 18.875000 1XA 0 0.00000 0.00000 A1 H32 22
41 7 1 0 0 0 0 0 0 0 0 0 0 -11.024700 -4.352230 17.563000 1XA 0 0.00000 0.00000 A1 H33 23
41 9 1 0 0 0 0 0 0 0 0 0 0 -10.548900 -2.137150 15.469300 1XA 0 0.00000 0.00000 A1 H51 24
41 9 1 0 0 0 0 0 0 0 0 0 0 -9.188360 -1.135270 15.985500 1XA 0 0.00000 0.00000 A1 H52 25
41 9 1 0 0 0 0 0 0 0 0 0 0 -9.757910 -1.051070 14.305100 1XA 0 0.00000 0.00000 A1 H53 26
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.624540 -3.065350 14.227200 1XA 0 0.00000 0.00000 A1 H61 27
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.932920 -1.623830 15.198700 1XA 0 0.00000 0.00000 A1 H63 28
41 11 1 0 0 0 0 0 0 0 0 0 0 -10.563200 -2.339900 11.516700 1XA 0 0.00000 0.00000 A1 H71 29
41 11 1 0 0 0 0 0 0 0 0 0 0 -11.214800 -2.676220 13.100700 1XA 0 0.00000 0.00000 A1 H72 30
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.100500 -4.662580 10.776700 1XA 0 0.00000 0.00000 A1 H81 31
41 12 1 0 0 0 0 0 0 0 0 0 0 -12.524100 -3.872790 11.453300 1XA 0 0.00000 0.00000 A1 H82 32
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.648700 -5.074100 12.409800 1XA 0 0.00000 0.00000 A1 H83 33
41 13 1 0 0 0 0 0 0 0 0 0 0 -7.539360 -4.543230 12.185100 1XA 0 0.00000 0.00000 A1 H91 34
41 13 1 0 0 0 0 0 0 0 0 0 0 -8.962520 -5.173630 11.367900 1XA 0 0.00000 0.00000 A1 H92 35
41 14 1 0 0 0 0 0 0 0 0 0 0 -9.040170 -3.114380 9.945220 1XA 0 0.00000 0.00000 A1 H101 36
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.429650 -3.836110 9.883830 1XA 0 0.00000 0.00000 A1 H102 37
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.718610 -2.400270 10.884500 1XA 0 0.00000 0.00000 A1 H103 38
41 10 1 0 0 0 0 0 0 0 0 0 0 -7.416590 -1.652790 13.488600 1XA 0 0.00000 0.00000 A1 H1 39
26 [DARXID,26,26,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 4 2 0 0 0 0 0 0 0 0 0 0 -12.264000 -3.038100 13.244400 1XA 0 -0.38000 -0.38000 UNCH S1 1
25 3 1 4 1 9 1 0 0 0 0 0 0 -9.929470 -4.225390 14.253500 1XA 0 -0.15700 -0.15700 UNCH N1 2
25 2 1 6 1 8 1 0 0 0 0 0 0 -9.221760 -5.441750 13.990000 1XA 0 -0.48910 -0.48910 UNCH N2 3
2 1 2 2 1 5 1 0 0 0 0 0 0 -11.101800 -4.219090 13.464600 1XA 0 0.42560 0.42560 UNCH C1 4
2 4 1 6 2 15 1 0 0 0 0 0 0 -11.124100 -5.517000 12.739200 1XA 0 -0.13560 -0.13560 UNCH C2 5
2 3 1 5 2 7 1 0 0 0 0 0 0 -10.005400 -6.161970 13.089200 1XA 0 -0.03820 -0.03820 UNCH C3 6
3 6 1 16 1 17 1 18 1 0 0 0 0 -9.604930 -7.512620 12.598600 1XA 0 0.13820 0.13820 UNCH C4 7
3 3 1 19 1 20 1 21 1 0 0 0 0 -8.716090 -6.113220 15.196200 1XA 0 0.36910 0.36910 UNCH C5 8
2 2 1 10 2 14 1 0 0 0 0 0 0 -9.206320 -3.087260 14.712100 1XA 0 0.11700 0.11700 UNCH C11 9
2 9 2 11 1 22 1 0 0 0 0 0 0 -7.818470 -2.994000 14.519300 1XA 0 -0.15000 -0.15000 UNCH C21 10
2 10 1 12 2 23 1 0 0 0 0 0 0 -7.098120 -1.888610 14.981300 1XA 0 -0.15000 -0.15000 UNCH C31 11
2 11 2 13 1 24 1 0 0 0 0 0 0 -7.754730 -0.862338 15.653700 1XA 0 -0.15000 -0.15000 UNCH C41 12
2 12 1 14 2 25 1 0 0 0 0 0 0 -9.128090 -0.944302 15.866300 1XA 0 -0.15000 -0.15000 UNCH C51 13
2 9 1 13 2 26 1 0 0 0 0 0 0 -9.847000 -2.050680 15.401300 1XA 0 -0.15000 -0.15000 UNCH C61 14
41 5 1 0 0 0 0 0 0 0 0 0 0 -11.897700 -5.833790 12.062200 1XA 0 0.15000 0.15000 UNCH H2 15
41 7 1 0 0 0 0 0 0 0 0 0 0 -8.597580 -7.480020 12.171200 1XA 0 0.00000 0.00000 UNCH H14 16
41 7 1 0 0 0 0 0 0 0 0 0 0 -9.613970 -8.241270 13.415200 1XA 0 0.00000 0.00000 UNCH H24 17
41 7 1 0 0 0 0 0 0 0 0 0 0 -10.285300 -7.875040 11.820700 1XA 0 0.00000 0.00000 UNCH H34 18
41 8 1 0 0 0 0 0 0 0 0 0 0 -8.074180 -6.956710 14.920800 1XA 0 0.00000 0.00000 UNCH H15 19
41 8 1 0 0 0 0 0 0 0 0 0 0 -8.112120 -5.441730 15.813600 1XA 0 0.00000 0.00000 UNCH H25 20
41 8 1 0 0 0 0 0 0 0 0 0 0 -9.544120 -6.488900 15.808000 1XA 0 0.00000 0.00000 UNCH H35 21
41 10 1 0 0 0 0 0 0 0 0 0 0 -7.286380 -3.770740 13.975800 1XA 0 0.15000 0.15000 UNCH H21 22
41 11 1 0 0 0 0 0 0 0 0 0 0 -6.026910 -1.828900 14.808100 1XA 0 0.15000 0.15000 UNCH H31 23
41 12 1 0 0 0 0 0 0 0 0 0 0 -7.198080 -0.000612 16.012400 1XA 0 0.15000 0.15000 UNCH H41 24
41 13 1 0 0 0 0 0 0 0 0 0 0 -9.644980 -0.150271 16.399401 1XA 0 0.15000 0.15000 UNCH H51 25
41 14 1 0 0 0 0 0 0 0 0 0 0 -10.909000 -2.099600 15.622700 1XA 0 0.15000 0.15000 UNCH H61 26
24 [DARZEB,24,24,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 2 2 10 1 0 0 0 0 0 0 0 0 -6.584050 -4.934600 14.791900 1XA 0 -0.17900 -0.17900 UNCH N1 1
25 1 2 3 1 0 0 0 0 0 0 0 0 -6.486240 -4.472430 13.631000 1XA 0 -0.06200 -0.06200 UNCH N2 2
26 2 1 4 1 11 1 0 0 0 0 0 0 -7.613360 -4.150650 12.917300 1XA 0 -0.53820 -0.53820 UNCH N3 3
3 3 1 5 1 13 1 19 1 0 0 0 0 -8.854560 -4.849200 13.176200 1XA 0 0.72360 0.72360 UNCH C4 4
2 4 1 6 2 10 1 0 0 0 0 0 0 -9.020660 -5.081190 14.636100 1XA 0 -0.14350 -0.14350 UNCH C41 5
2 5 2 7 1 21 1 0 0 0 0 0 0 -10.263100 -5.303830 15.243300 1XA 0 -0.15000 -0.15000 UNCH C5 6
2 6 1 8 2 22 1 0 0 0 0 0 0 -10.332800 -5.519560 16.618700 1XA 0 -0.15000 -0.15000 UNCH C6 7
2 7 2 9 1 23 1 0 0 0 0 0 0 -9.166220 -5.522200 17.381800 1XA 0 -0.15000 -0.15000 UNCH C7 8
2 8 1 10 2 24 1 0 0 0 0 0 0 -7.929270 -5.314970 16.766199 1XA 0 -0.15000 -0.15000 UNCH C8 9
2 1 1 5 1 9 2 0 0 0 0 0 0 -7.847040 -5.092720 15.388000 1XA 0 0.17900 0.17900 UNCH C81 10
3 3 1 12 1 14 1 15 1 0 0 0 0 -7.363640 -3.628050 11.576500 1XA 0 0.30010 0.30010 UNCH C31 11
3 11 1 16 1 17 1 18 1 0 0 0 0 -8.274040 -2.466610 11.213200 1XA 0 0.00000 0.00000 UNCH C32 12
16 4 1 20 1 0 0 0 0 0 0 0 0 -8.786080 -6.092850 12.509300 1XA 0 -0.68000 -0.68000 UNCH O4 13
41 11 1 0 0 0 0 0 0 0 0 0 0 -6.325540 -3.276590 11.533500 1XA 0 0.00000 0.00000 UNCH H31 14
41 11 1 0 0 0 0 0 0 0 0 0 0 -7.464340 -4.445840 10.854900 1XA 0 0.00000 0.00000 UNCH H32 15
41 12 1 0 0 0 0 0 0 0 0 0 0 -8.211380 -1.671140 11.963000 1XA 0 0.00000 0.00000 UNCH H33 16
41 12 1 0 0 0 0 0 0 0 0 0 0 -7.984980 -2.048950 10.243700 1XA 0 0.00000 0.00000 UNCH H34 17
41 12 1 0 0 0 0 0 0 0 0 0 0 -9.319550 -2.780450 11.141500 1XA 0 0.00000 0.00000 UNCH H35 18
41 4 1 0 0 0 0 0 0 0 0 0 0 -9.693780 -4.265690 12.787000 1XA 0 0.00000 0.00000 UNCH H41 19
42 13 1 0 0 0 0 0 0 0 0 0 0 -7.851520 -6.341400 12.622400 1XA 0 0.40000 0.40000 UNCH H42 20
41 6 1 0 0 0 0 0 0 0 0 0 0 -11.171900 -5.313990 14.646500 1XA 0 0.15000 0.15000 UNCH H5 21
41 7 1 0 0 0 0 0 0 0 0 0 0 -11.295000 -5.690980 17.095100 1XA 0 0.15000 0.15000 UNCH H6 22
41 8 1 0 0 0 0 0 0 0 0 0 0 -9.216620 -5.693990 18.454000 1XA 0 0.15000 0.15000 UNCH H7 23
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.020130 -5.331310 17.362000 1XA 0 0.15000 0.15000 UNCH H8 24
30 [DAVWEC,30,30,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
58 5 1 0 0 0 0 0 0 0 0 0 0 -5.973590 -5.395440 15.697500 1XA 0 -0.11000 -0.11000 DASR BR1 1
58 6 1 0 0 0 0 0 0 0 0 0 0 -8.848780 -7.136410 15.501000 1XA 0 -0.11000 -0.11000 DASR BR2 2
2 4 1 8 1 15 2 0 0 0 0 0 0 -8.652320 -2.658140 13.808600 1XA 0 0.44800 0.44800 DASR C1 3
3 3 1 5 1 9 1 12 1 0 0 0 0 -7.360710 -3.235530 14.396500 1XA 0 0.43940 0.43940 DASR C2 4
2 1 1 4 1 6 2 0 0 0 0 0 0 -7.553080 -4.656430 14.935600 1XA 0 -0.02820 -0.02820 DASR C3 5
2 2 1 5 2 7 1 0 0 0 0 0 0 -8.724340 -5.344650 14.885600 1XA 0 -0.02820 -0.02820 DASR C4 6
3 6 1 8 1 10 1 13 1 0 0 0 0 -10.048300 -4.742700 14.333500 1XA 0 0.37840 0.37840 DASR C5 7
3 3 1 7 1 11 1 14 1 0 0 0 0 -9.970290 -3.186260 14.382100 1XA 0 0.30120 0.30120 DASR C6 8
3 4 1 22 1 23 1 24 1 0 0 0 0 -6.826930 -2.244890 15.450100 1XA 0 0.00000 0.00000 DASR C7 9
3 7 1 25 1 26 1 27 1 0 0 0 0 -11.316200 -5.248680 15.082700 1XA 0 0.00000 0.00000 DASR C8 10
3 8 1 28 1 29 1 30 1 0 0 0 0 -10.117200 -2.655880 15.836500 1XA 0 0.00000 0.00000 DASR C9 11
31 4 1 16 1 17 2 0 0 0 0 0 0 -6.381560 -3.301370 13.214400 1XA 0 0.79980 0.79980 DASR N1 12
31 7 1 18 1 19 2 0 0 0 0 0 0 -10.098800 -5.246860 12.874200 1XA 0 0.79980 0.79980 DASR N2 13
31 8 1 20 1 21 2 0 0 0 0 0 0 -11.101900 -2.514340 13.598500 1XA 0 0.79980 0.79980 DASR N3 14
15 3 2 0 0 0 0 0 0 0 0 0 0 -8.616570 -1.724260 13.006500 1XA 0 -0.57000 -0.57000 DASR O1 15
18 12 1 0 0 0 0 0 0 0 0 0 0 -6.524760 -4.233070 12.411500 1XA 0 -0.52000 -0.52000 DASR O2 16
15 12 2 0 0 0 0 0 0 0 0 0 0 -5.488420 -2.445570 13.148400 1XA 0 -0.52000 -0.52000 DASR O3 17
18 13 1 0 0 0 0 0 0 0 0 0 0 -10.789500 -6.239620 12.619600 1XA 0 -0.52000 -0.52000 DASR O4 18
15 13 2 0 0 0 0 0 0 0 0 0 0 -9.390000 -4.645650 12.061000 1XA 0 -0.52000 -0.52000 DASR O5 19
18 14 1 0 0 0 0 0 0 0 0 0 0 -11.327200 -1.321360 13.841700 1XA 0 -0.52000 -0.52000 DASR O6 20
15 14 2 0 0 0 0 0 0 0 0 0 0 -11.785900 -3.207280 12.840800 1XA 0 -0.52000 -0.52000 DASR O7 21
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.400550 -2.297770 16.381001 1XA 0 0.00000 0.00000 DASR H1 22
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.891940 -1.207990 15.097400 1XA 0 0.00000 0.00000 DASR H2 23
41 9 1 0 0 0 0 0 0 0 0 0 0 -5.778270 -2.427610 15.711600 1XA 0 0.00000 0.00000 DASR H3 24
41 10 1 0 0 0 0 0 0 0 0 0 0 -11.507800 -6.318730 14.946000 1XA 0 0.00000 0.00000 DASR H4 25
41 10 1 0 0 0 0 0 0 0 0 0 0 -12.227600 -4.744160 14.747100 1XA 0 0.00000 0.00000 DASR H5 26
41 10 1 0 0 0 0 0 0 0 0 0 0 -11.232200 -5.082660 16.162901 1XA 0 0.00000 0.00000 DASR H6 27
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.504810 -3.220570 16.546499 1XA 0 0.00000 0.00000 DASR H7 28
41 11 1 0 0 0 0 0 0 0 0 0 0 -11.153600 -2.712090 16.190901 1XA 0 0.00000 0.00000 DASR H8 29
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.806720 -1.606510 15.917000 1XA 0 0.00000 0.00000 DASR H9 30
35 [DAVXED,35,35,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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2 2 1 4 2 8 1 0 0 0 0 0 0 -8.045800 -4.507590 13.259100 1XA 0 -0.27640 -0.27640 UNCH C3 3
2 3 2 5 1 12 1 0 0 0 0 0 0 -7.760400 -4.609010 14.580400 1XA 0 0.06620 0.06620 UNCH C4 4
3 4 1 6 1 9 1 13 1 0 0 0 0 -8.666390 -4.349730 15.771600 1XA 0 0.37840 0.37840 UNCH C5 5
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31 4 1 18 1 19 2 0 0 0 0 0 0 -6.437160 -5.074030 14.948400 1XA 0 0.83560 0.83560 UNCH N2 12
31 5 1 20 1 21 2 0 0 0 0 0 0 -8.262170 -2.958330 16.295000 1XA 0 0.79980 0.79980 UNCH N3 13
31 6 1 22 1 23 2 0 0 0 0 0 0 -10.726000 -5.648540 15.294300 1XA 0 0.79980 0.79980 UNCH N4 14
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18 12 1 0 0 0 0 0 0 0 0 0 0 -5.718730 -4.271790 15.546000 1XA 0 -0.52000 -0.52000 UNCH O4 18
15 12 2 0 0 0 0 0 0 0 0 0 0 -6.167150 -6.247820 14.680300 1XA 0 -0.52000 -0.52000 UNCH O5 19
18 13 1 0 0 0 0 0 0 0 0 0 0 -8.242620 -2.044770 15.466300 1XA 0 -0.52000 -0.52000 UNCH O6 20
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41 7 1 0 0 0 0 0 0 0 0 0 0 -10.110200 -6.046570 12.193200 1XA 0 0.00000 0.00000 UNCH H10 33
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41 7 1 0 0 0 0 0 0 0 0 0 0 -11.120900 -4.747230 11.577100 1XA 0 0.00000 0.00000 UNCH H12 35
21 [DAWXII,21,21,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 5 1 4 1 2 2 0 0 0 0 0 0 -8.053690 -4.575410 14.117100 1XA 0 -0.04000 -0.04000 DAWX C1 1
2 1 2 7 1 3 1 0 0 0 0 0 0 -9.197230 -4.490140 14.838000 1XA 0 -0.20500 -0.20500 DAWX C2 2
3 2 1 12 1 11 1 4 1 0 0 0 0 -9.396620 -5.971390 14.990600 1XA 0 0.73400 0.73400 DAWX C3 3
3 1 1 3 1 14 1 13 1 0 0 0 0 -8.117040 -6.138830 14.111600 1XA 0 0.73400 0.73400 DAWX C4 4
25 1 1 15 1 6 1 0 0 0 0 0 0 -7.181710 -3.750210 13.578300 1XA 0 -0.86710 -0.86710 DAWX N5 5
3 5 1 18 1 17 1 16 1 0 0 0 0 -6.128580 -4.171470 12.675400 1XA 0 0.36910 0.36910 DAWX C6 6
31 2 1 10 1 8 2 0 0 0 0 0 0 -9.898270 -3.354280 15.289600 1XA 0 0.90700 0.90700 DAWX N7 7
25 7 2 9 1 0 0 0 0 0 0 0 0 -10.913300 -3.551870 16.021299 1XA 0 -0.45300 -0.45300 DAWX N8 8
3 8 1 21 1 20 1 19 1 0 0 0 0 -11.557300 -2.299220 16.421600 1XA 0 0.24600 0.24600 DAWX C9 9
18 7 1 0 0 0 0 0 0 0 0 0 0 -9.440200 -2.229740 14.902100 1XA 0 -0.63300 -0.63300 DAWX O10 10
56 3 1 0 0 0 0 0 0 0 0 0 0 -10.531900 -6.505540 14.466600 1XA 0 -0.29800 -0.29800 DAWX F11 11
56 3 1 0 0 0 0 0 0 0 0 0 0 -9.309400 -6.487260 16.245600 1XA 0 -0.29800 -0.29800 DAWX F12 12
56 4 1 0 0 0 0 0 0 0 0 0 0 -8.302360 -6.741760 12.906400 1XA 0 -0.29800 -0.29800 DAWX F13 13
56 4 1 0 0 0 0 0 0 0 0 0 0 -7.083330 -6.803070 14.694100 1XA 0 -0.29800 -0.29800 DAWX F14 14
43 5 1 0 0 0 0 0 0 0 0 0 0 -7.356700 -2.740400 13.584900 1XA 0 0.40000 0.40000 DAWX H5 15
41 6 1 0 0 0 0 0 0 0 0 0 0 -6.549780 -4.502070 11.720700 1XA 0 0.00000 0.00000 DAWX H61 16
41 6 1 0 0 0 0 0 0 0 0 0 0 -5.539660 -4.986680 13.108200 1XA 0 0.00000 0.00000 DAWX H62 17
41 6 1 0 0 0 0 0 0 0 0 0 0 -5.452510 -3.333480 12.480200 1XA 0 0.00000 0.00000 DAWX H63 18
41 9 1 0 0 0 0 0 0 0 0 0 0 -10.882900 -1.669570 17.012300 1XA 0 0.00000 0.00000 DAWX H91 19
41 9 1 0 0 0 0 0 0 0 0 0 0 -12.421400 -2.533990 17.051001 1XA 0 0.00000 0.00000 DAWX H92 20
41 9 1 0 0 0 0 0 0 0 0 0 0 -11.925500 -1.739950 15.554500 1XA 0 0.00000 0.00000 DAWX H93 21
17 [DAWYUV,17,17,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
57 5 1 0 0 0 0 0 0 0 0 0 0 -8.270630 -1.259460 14.647400 1XA 0 -0.14000 -0.14000 DAWX CL1 1
16 3 1 10 1 0 0 0 0 0 0 0 0 -8.059590 -5.721000 15.439100 1XA 0 -0.23250 -0.23250 DAWX O1 2
2 2 1 4 1 12 2 0 0 0 0 0 0 -7.313300 -4.853220 16.217899 1XA 0 0.70560 0.70560 DAWX C2 3
2 3 1 5 2 13 1 0 0 0 0 0 0 -7.421100 -3.422730 15.916500 1XA 0 -0.13560 -0.13560 DAWX C3 4
2 1 1 4 2 11 1 0 0 0 0 0 0 -8.201200 -2.960370 14.936200 1XA 0 0.11160 0.11160 DAWX C4 5
2 7 2 11 1 14 1 0 0 0 0 0 0 -9.832410 -3.498500 13.069100 1XA 0 -0.15000 -0.15000 DAWX C5 6
2 6 2 8 1 15 1 0 0 0 0 0 0 -10.547400 -4.455430 12.338200 1XA 0 -0.15000 -0.15000 DAWX C6 7
2 7 1 9 2 16 1 0 0 0 0 0 0 -10.427800 -5.810490 12.644500 1XA 0 -0.15000 -0.15000 DAWX C7 8
2 8 2 10 1 17 1 0 0 0 0 0 0 -9.592930 -6.212760 13.682300 1XA 0 -0.15000 -0.15000 DAWX C8 9
2 2 1 9 1 11 2 0 0 0 0 0 0 -8.886970 -5.247920 14.401500 1XA 0 0.08250 0.08250 DAWX C9 10
2 5 1 6 1 10 2 0 0 0 0 0 0 -8.986780 -3.884390 14.117700 1XA 0 0.02840 0.02840 DAWX C10 11
15 3 2 0 0 0 0 0 0 0 0 0 0 -6.588330 -5.246020 17.124399 1XA 0 -0.57000 -0.57000 DAWX O11 12
41 4 1 0 0 0 0 0 0 0 0 0 0 -6.825910 -2.768880 16.542200 1XA 0 0.15000 0.15000 DAWX H3 13
41 6 1 0 0 0 0 0 0 0 0 0 0 -9.953900 -2.452300 12.798100 1XA 0 0.15000 0.15000 DAWX H5 14
41 7 1 0 0 0 0 0 0 0 0 0 0 -11.199800 -4.139180 11.527000 1XA 0 0.15000 0.15000 DAWX H6 15
41 8 1 0 0 0 0 0 0 0 0 0 0 -10.984800 -6.549990 12.074400 1XA 0 0.15000 0.15000 DAWX H7 16
41 9 1 0 0 0 0 0 0 0 0 0 0 -9.492020 -7.265820 13.929700 1XA 0 0.15000 0.15000 DAWX H8 17
27 [DAYWEF,27,27,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
53 3 1 4 1 5 1 6 2 0 0 0 0 -7.154810 -4.062290 14.312100 1XA 0 1.51360 1.51360 UNCH P1 1
53 3 1 10 1 11 1 12 2 0 0 0 0 -9.826140 -4.185460 15.129800 1XA 0 1.51360 1.51360 UNCH P2 2
16 1 1 2 1 0 0 0 0 0 0 0 0 -8.701610 -4.281530 14.007400 1XA 0 -0.54240 -0.54240 UNCH O2 3
16 1 1 9 1 0 0 0 0 0 0 0 0 -6.725670 -5.246590 15.307800 1XA 0 -0.55120 -0.55120 UNCH O11 4
16 1 1 7 1 0 0 0 0 0 0 0 0 -6.450390 -4.495940 12.925800 1XA 0 -0.55120 -0.55120 UNCH O13 5
15 1 2 0 0 0 0 0 0 0 0 0 0 -6.794950 -2.680980 14.753600 1XA 0 -0.70000 -0.70000 UNCH O14 6
3 5 1 8 1 16 1 17 1 0 0 0 0 -6.609100 -5.836490 12.498500 1XA 0 0.28000 0.28000 UNCH C14 7
3 7 1 9 1 18 1 19 1 0 0 0 0 -6.118160 -6.798290 13.568700 1XA 0 0.00000 0.00000 UNCH C15 8
3 4 1 8 1 20 1 21 1 0 0 0 0 -6.880940 -6.581790 14.865500 1XA 0 0.28000 0.28000 UNCH C16 9
16 2 1 15 1 0 0 0 0 0 0 0 0 -11.193900 -4.247100 14.274400 1XA 0 -0.55120 -0.55120 UNCH O21 10
16 2 1 13 1 0 0 0 0 0 0 0 0 -9.806870 -2.666340 15.649500 1XA 0 -0.55120 -0.55120 UNCH O23 11
15 2 2 0 0 0 0 0 0 0 0 0 0 -9.741680 -5.235010 16.189899 1XA 0 -0.70000 -0.70000 UNCH O24 12
3 11 1 14 1 22 1 23 1 0 0 0 0 -10.059500 -1.635710 14.713300 1XA 0 0.28000 0.28000 UNCH C24 13
3 13 1 15 1 24 1 25 1 0 0 0 0 -11.405000 -1.854330 14.040700 1XA 0 0.00000 0.00000 UNCH C25 14
3 10 1 14 1 26 1 27 1 0 0 0 0 -11.436400 -3.206130 13.345700 1XA 0 0.28000 0.28000 UNCH C26 15
41 7 1 0 0 0 0 0 0 0 0 0 0 -7.660880 -6.017140 12.252300 1XA 0 0.00000 0.00000 UNCH H141 16
41 7 1 0 0 0 0 0 0 0 0 0 0 -6.026620 -5.969200 11.581600 1XA 0 0.00000 0.00000 UNCH H142 17
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41 8 1 0 0 0 0 0 0 0 0 0 0 -5.054430 -6.604150 13.751900 1XA 0 0.00000 0.00000 UNCH H152 19
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41 13 1 0 0 0 0 0 0 0 0 0 0 -10.059200 -0.682507 15.250700 1XA 0 0.00000 0.00000 UNCH H241 22
41 13 1 0 0 0 0 0 0 0 0 0 0 -9.250900 -1.602490 13.976200 1XA 0 0.00000 0.00000 UNCH H242 23
41 14 1 0 0 0 0 0 0 0 0 0 0 -11.608600 -1.052050 13.324600 1XA 0 0.00000 0.00000 UNCH H251 24
41 14 1 0 0 0 0 0 0 0 0 0 0 -12.187100 -1.838170 14.809400 1XA 0 0.00000 0.00000 UNCH H252 25
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41 15 1 0 0 0 0 0 0 0 0 0 0 -12.421900 -3.374350 12.900600 1XA 0 0.00000 0.00000 UNCH H262 27
27 [DAZVEF,27,27,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 2 3 1 13 1 0 0 0 0 0 0 -8.008590 -4.683810 13.744100 1XA 0 0.57000 0.57000 UNCH C1 1
15 1 2 0 0 0 0 0 0 0 0 0 0 -7.132800 -5.236500 13.090300 1XA 0 -0.57000 -0.57000 UNCH O1 2
3 1 1 4 1 5 1 6 1 0 0 0 0 -9.441060 -4.660910 13.299100 1XA 0 0.00000 0.00000 UNCH C2 3
3 3 1 5 1 16 1 17 1 0 0 0 0 -9.710300 -4.652580 11.794900 1XA 0 -0.20000 -0.20000 UNCH C3 4
3 3 1 4 1 18 1 19 1 0 0 0 0 -9.981670 -5.897720 12.583300 1XA 0 -0.20000 -0.20000 UNCH C4 5
2 3 1 7 2 8 1 0 0 0 0 0 0 -10.400200 -3.937440 14.193800 1XA 0 0.57000 0.57000 UNCH C5 6
15 6 2 0 0 0 0 0 0 0 0 0 0 -11.333400 -3.278820 13.753600 1XA 0 -0.57000 -0.57000 UNCH O2 7
3 6 1 9 1 10 1 11 1 0 0 0 0 -10.167000 -4.108790 15.663600 1XA 0 0.00000 0.00000 UNCH C6 8
3 8 1 10 1 20 1 21 1 0 0 0 0 -11.195000 -3.523380 16.630899 1XA 0 -0.20000 -0.20000 UNCH C7 9
3 8 1 9 1 22 1 23 1 0 0 0 0 -11.155800 -5.004700 16.407900 1XA 0 -0.20000 -0.20000 UNCH C8 10
2 8 1 12 2 13 1 0 0 0 0 0 0 -8.734550 -4.131640 16.108801 1XA 0 0.57000 0.57000 UNCH C9 11
15 11 2 0 0 0 0 0 0 0 0 0 0 -8.420830 -4.256800 17.285999 1XA 0 -0.57000 -0.57000 UNCH O3 12
3 1 1 11 1 14 1 15 1 0 0 0 0 -7.710960 -3.974090 15.028000 1XA 0 0.00000 0.00000 UNCH C10 13
3 13 1 15 1 24 1 25 1 0 0 0 0 -6.249730 -3.785280 15.432500 1XA 0 -0.20000 -0.20000 UNCH C11 14
3 13 1 14 1 26 1 27 1 0 0 0 0 -7.025670 -2.612420 14.920400 1XA 0 -0.20000 -0.20000 UNCH C12 15
41 4 1 0 0 0 0 0 0 0 0 0 0 -8.863580 -4.658260 11.115800 1XA 0 0.10000 0.10000 UNCH H1 16
41 4 1 0 0 0 0 0 0 0 0 0 0 -10.560800 -4.092530 11.419900 1XA 0 0.10000 0.10000 UNCH H2 17
41 5 1 0 0 0 0 0 0 0 0 0 0 -11.018800 -6.177540 12.735300 1XA 0 0.10000 0.10000 UNCH H3 18
41 5 1 0 0 0 0 0 0 0 0 0 0 -9.317610 -6.742760 12.431800 1XA 0 0.10000 0.10000 UNCH H4 19
41 9 1 0 0 0 0 0 0 0 0 0 0 -12.036400 -2.970230 16.226500 1XA 0 0.10000 0.10000 UNCH H5 20
41 9 1 0 0 0 0 0 0 0 0 0 0 -10.850800 -3.146840 17.588900 1XA 0 0.10000 0.10000 UNCH H6 21
41 10 1 0 0 0 0 0 0 0 0 0 0 -11.976400 -5.449200 15.854600 1XA 0 0.10000 0.10000 UNCH H7 22
41 10 1 0 0 0 0 0 0 0 0 0 0 -10.787100 -5.625100 17.218500 1XA 0 0.10000 0.10000 UNCH H8 23
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.995670 -3.808720 16.487400 1XA 0 0.10000 0.10000 UNCH H9 24
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.476460 -4.203630 14.796100 1XA 0 0.10000 0.10000 UNCH H10 25
41 15 1 0 0 0 0 0 0 0 0 0 0 -6.768320 -2.234000 13.936500 1XA 0 0.10000 0.10000 UNCH H11 26
41 15 1 0 0 0 0 0 0 0 0 0 0 -7.289200 -1.837820 15.633200 1XA 0 0.10000 0.10000 UNCH H12 27
11 [DEBMOM01,11,11,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
15 5 2 0 0 0 0 0 0 0 0 0 0 14.478900 1.257540 0.336310 1XA 0 -0.57000 -0.57000 DEBM O1 1
16 5 1 9 1 0 0 0 0 0 0 0 0 14.571400 3.451980 0.789062 1XA 0 -0.65000 -0.65000 DEBM O2 2
18 8 1 0 0 0 0 0 0 0 0 0 0 15.370600 4.747460 2.628190 1XA 0 -0.90000 -0.90000 DEBM O3 3
15 8 2 0 0 0 0 0 0 0 0 0 0 16.355801 4.507390 4.679810 1XA 0 -0.90000 -0.90000 DEBM O4 4
2 1 2 2 1 6 1 0 0 0 0 0 0 14.789200 2.168720 1.098180 1XA 0 0.70560 0.70560 DEBM C1 5
2 5 1 7 2 10 1 0 0 0 0 0 0 15.422200 1.850280 2.397090 1XA 0 -0.13560 -0.13560 DEBM C2 6
2 6 2 8 1 11 1 0 0 0 0 0 0 15.865600 2.595260 3.420550 1XA 0 -0.40000 -0.40000 DEBM C3 7
2 3 1 4 2 7 1 0 0 0 0 0 0 15.864600 4.102500 3.595380 1XA 0 1.05000 1.05000 DEBM C4 8
42 2 1 0 0 0 0 0 0 0 0 0 0 14.874500 4.088720 1.503680 1XA 0 0.50000 0.50000 DEBM H1 9
41 6 1 0 0 0 0 0 0 0 0 0 0 15.532500 0.772824 2.503420 1XA 0 0.15000 0.15000 DEBM H2 10
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16 2 1 9 1 0 0 0 0 0 0 0 0 0.352000 3.206600 5.145840 1XA 0 -0.01910 -0.01910 UNCH O1 1
25 1 1 3 2 0 0 0 0 0 0 0 0 -0.862677 3.825310 5.449110 1XA 0 -0.40970 -0.40970 UNCH N2 2
2 2 2 4 1 13 1 0 0 0 0 0 0 -1.063420 4.696340 4.462790 1XA 0 0.35080 0.35080 UNCH C3 3
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3 4 1 6 1 14 1 15 1 0 0 0 0 0.296956 5.513760 2.328680 1XA 0 0.18100 0.18100 UNCH C4 5
3 5 1 7 1 16 1 17 1 0 0 0 0 1.830290 5.609010 2.163510 1XA 0 0.50300 0.50300 UNCH C5 6
32 6 1 8 1 18 1 19 1 0 0 0 0 2.485030 4.277170 2.232600 1XA 0 -0.90600 -0.90600 UNCH N6 7
3 7 1 9 1 10 1 20 1 0 0 0 0 2.138990 3.339820 3.446840 1XA 0 0.57700 0.57700 UNCH C7 8
2 1 1 4 2 8 1 0 0 0 0 0 0 0.826894 3.743470 3.997760 1XA 0 -0.04000 -0.04000 UNCH C71 9
2 8 1 11 2 12 1 0 0 0 0 0 0 2.063660 1.883370 2.883190 1XA 0 0.90600 0.90600 UNCH C8 10
15 10 2 0 0 0 0 0 0 0 0 0 0 1.959510 1.933230 1.606760 1XA 0 -0.90000 -0.90000 UNCH O81 11
18 10 1 0 0 0 0 0 0 0 0 0 0 2.218830 0.931496 3.676040 1XA 0 -0.90000 -0.90000 UNCH O82 12
16 3 1 21 1 0 0 0 0 0 0 0 0 -2.178960 5.430370 4.511820 1XA 0 -0.51200 -0.51200 UNCH O3 13
41 5 1 0 0 0 0 0 0 0 0 0 0 -0.140874 5.033600 1.445630 1XA 0 0.00000 0.00000 UNCH H41 14
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41 6 1 0 0 0 0 0 0 0 0 0 0 2.092190 6.044860 1.194790 1XA 0 0.00000 0.00000 UNCH H55 17
44 7 1 0 0 0 0 0 0 0 0 0 0 2.165420 3.635000 1.458580 1XA 0 0.45000 0.45000 UNCH H61 18
44 7 1 0 0 0 0 0 0 0 0 0 0 3.501680 4.277880 2.115740 1XA 0 0.45000 0.45000 UNCH H65 19
41 8 1 0 0 0 0 0 0 0 0 0 0 2.953330 3.468410 4.164880 1XA 0 0.00000 0.00000 UNCH H71 20
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25 2 1 10 1 15 1 0 0 0 0 0 0 -8.905990 -3.063680 14.860800 1XA 0 -0.83820 -0.83820 UNCH N1 1
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2 2 2 4 1 11 1 0 0 0 0 0 0 -8.980560 -4.614440 13.020500 1XA 0 0.02880 0.02880 UNCH C3 3
2 3 1 5 1 14 2 0 0 0 0 0 0 -8.442380 -5.661540 13.928900 1XA 0 0.61560 0.61560 UNCH C4 4
25 4 1 6 1 10 1 0 0 0 0 0 0 -8.128430 -5.289060 15.232000 1XA 0 -0.66020 -0.66020 UNCH N5 5
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3 6 1 8 1 19 1 20 1 0 0 0 0 -9.041130 -6.811120 16.912901 1XA 0 0.00000 0.00000 UNCH C7 7
3 7 1 9 1 21 1 22 1 0 0 0 0 -9.782370 -5.632510 17.554100 1XA 0 0.00000 0.00000 UNCH C8 8
3 8 1 10 1 23 1 24 1 0 0 0 0 -10.022400 -4.495560 16.552099 1XA 0 0.00000 0.00000 UNCH C9 9
3 1 1 5 1 9 1 25 1 0 0 0 0 -8.709270 -4.110330 15.853700 1XA 0 0.66920 0.66920 UNCH C9_ 10
2 3 1 12 2 13 1 0 0 0 0 0 0 -9.309170 -4.822160 11.584100 1XA 0 0.61560 0.61560 UNCH C11 11
15 11 2 0 0 0 0 0 0 0 0 0 0 -9.760230 -3.937090 10.863000 1XA 0 -0.57000 -0.57000 UNCH O12 12
25 11 1 26 1 27 1 0 0 0 0 0 0 -9.089030 -6.067800 11.086500 1XA 0 -0.80000 -0.80000 UNCH N13 13
15 4 2 0 0 0 0 0 0 0 0 0 0 -8.268180 -6.809210 13.511300 1XA 0 -0.57000 -0.57000 UNCH O17 14
3 1 1 28 1 29 1 30 1 0 0 0 0 -9.166020 -1.720150 15.368300 1XA 0 0.36910 0.36910 UNCH C18 15
41 2 1 0 0 0 0 0 0 0 0 0 0 -9.513310 -2.567550 12.931700 1XA 0 0.15000 0.15000 UNCH H2 16
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.305910 -7.183790 15.669800 1XA 0 0.00000 0.00000 UNCH H61 17
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.054920 -5.931610 16.889099 1XA 0 0.00000 0.00000 UNCH H62 18
41 7 1 0 0 0 0 0 0 0 0 0 0 -9.713510 -7.310720 16.204399 1XA 0 0.00000 0.00000 UNCH H71 19
41 7 1 0 0 0 0 0 0 0 0 0 0 -8.774110 -7.545960 17.680099 1XA 0 0.00000 0.00000 UNCH H72 20
41 8 1 0 0 0 0 0 0 0 0 0 0 -10.738900 -5.973940 17.965099 1XA 0 0.00000 0.00000 UNCH H81 21
41 8 1 0 0 0 0 0 0 0 0 0 0 -9.190260 -5.250640 18.395100 1XA 0 0.00000 0.00000 UNCH H82 22
41 9 1 0 0 0 0 0 0 0 0 0 0 -10.767400 -4.820080 15.814000 1XA 0 0.00000 0.00000 UNCH H91 23
41 9 1 0 0 0 0 0 0 0 0 0 0 -10.450600 -3.633170 17.075600 1XA 0 0.00000 0.00000 UNCH H92 24
41 10 1 0 0 0 0 0 0 0 0 0 0 -7.984930 -3.758300 16.600100 1XA 0 0.00000 0.00000 UNCH H92_ 25
43 13 1 0 0 0 0 0 0 0 0 0 0 -9.294990 -6.253730 10.116200 1XA 0 0.37000 0.37000 UNCH H131 26
43 13 1 0 0 0 0 0 0 0 0 0 0 -8.716620 -6.813200 11.672400 1XA 0 0.37000 0.37000 UNCH H132 27
41 15 1 0 0 0 0 0 0 0 0 0 0 -8.650820 -1.546510 16.319000 1XA 0 0.00000 0.00000 UNCH H181 28
41 15 1 0 0 0 0 0 0 0 0 0 0 -10.239800 -1.572480 15.523300 1XA 0 0.00000 0.00000 UNCH H182 29
41 15 1 0 0 0 0 0 0 0 0 0 0 -8.810110 -0.963145 14.660900 1XA 0 0.00000 0.00000 UNCH H183 30
26 [DECRIM,26,26,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 4 1 5 1 0 0 0 0 0 0 0 0 -8.062740 -3.705420 14.627400 1XA 0 -0.33300 -0.33300 DECR O1 1
31 4 2 10 1 11 1 0 0 0 0 0 0 -10.043300 -4.217680 13.791900 1XA 0 -0.74700 -0.74700 DECR N1 2
25 4 1 12 1 13 1 0 0 0 0 0 0 -9.726520 -2.215300 15.140100 1XA 0 -0.81100 -0.81100 DECR N3 3
2 1 1 2 2 3 1 0 0 0 0 0 0 -9.352470 -3.339290 14.531800 1XA 0 0.92500 0.92500 DECR C1 4
2 1 1 6 2 10 1 0 0 0 0 0 0 -7.908680 -4.822810 13.860500 1XA 0 0.14000 0.14000 DECR C2 5
2 5 2 7 1 14 1 0 0 0 0 0 0 -6.738110 -5.533280 13.637200 1XA 0 -0.15000 -0.15000 DECR C3 6
2 6 1 8 2 15 1 0 0 0 0 0 0 -6.864470 -6.651230 12.803900 1XA 0 -0.15000 -0.15000 DECR C4 7
2 7 2 9 1 16 1 0 0 0 0 0 0 -8.098530 -7.012420 12.244200 1XA 0 -0.15000 -0.15000 DECR C5 8
2 8 1 10 2 20 1 0 0 0 0 0 0 -9.263670 -6.269060 12.496200 1XA 0 -0.15000 -0.15000 DECR C6 9
2 2 1 5 1 9 2 0 0 0 0 0 0 -9.138000 -5.153940 13.326500 1XA 0 0.33300 0.33300 DECR C7 10
3 2 1 26 1 25 1 24 1 0 0 0 0 -11.455600 -4.303170 13.512100 1XA 0 0.51400 0.51400 DECR C8 11
3 3 1 17 1 18 1 21 1 0 0 0 0 -11.001700 -1.546010 14.892700 1XA 0 0.48950 0.48950 DECR C10 12
3 3 1 19 1 22 1 23 1 0 0 0 0 -8.763850 -1.543770 16.036100 1XA 0 0.48950 0.48950 DECR C11 13
41 6 1 0 0 0 0 0 0 0 0 0 0 -5.790300 -5.244190 14.076000 1XA 0 0.15000 0.15000 DECR H3 14
41 7 1 0 0 0 0 0 0 0 0 0 0 -5.983080 -7.254940 12.585000 1XA 0 0.15000 0.15000 DECR H4 15
41 8 1 0 0 0 0 0 0 0 0 0 0 -8.152170 -7.890440 11.599900 1XA 0 0.15000 0.15000 DECR H5 16
41 12 1 0 0 0 0 0 0 0 0 0 0 -10.944500 -0.492863 15.185400 1XA 0 0.00000 0.00000 DECR H101 17
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.787000 -2.029340 15.478900 1XA 0 0.00000 0.00000 DECR H102 18
41 13 1 0 0 0 0 0 0 0 0 0 0 -7.984130 -1.067510 15.434900 1XA 0 0.00000 0.00000 DECR H112 19
41 9 1 0 0 0 0 0 0 0 0 0 0 -10.203800 -6.570490 12.048200 1XA 0 0.15000 0.15000 DECR H1 20
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.242800 -1.576610 13.827100 1XA 0 0.00000 0.00000 DECR H2 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -9.270420 -0.783470 16.638100 1XA 0 0.00000 0.00000 DECR H6 22
41 13 1 0 0 0 0 0 0 0 0 0 0 -8.319750 -2.274690 16.719000 1XA 0 0.00000 0.00000 DECR H7 23
41 11 1 0 0 0 0 0 0 0 0 0 0 -11.749200 -5.316440 13.227000 1XA 0 0.00000 0.00000 DECR H8 24
41 11 1 0 0 0 0 0 0 0 0 0 0 -12.023900 -4.044040 14.408100 1XA 0 0.00000 0.00000 DECR H9 25
41 11 1 0 0 0 0 0 0 0 0 0 0 -11.703400 -3.616960 12.698400 1XA 0 0.00000 0.00000 DECR H10 26
20 [DEDCIY,20,20,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
57 6 1 0 0 0 0 0 0 0 0 0 0 -12.524200 -5.217120 15.187600 1XA 0 -0.17700 -0.17700 UNCH CL1 1
57 8 1 0 0 0 0 0 0 0 0 0 0 -9.886920 -1.833870 11.912100 1XA 0 -0.17700 -0.17700 UNCH CL2 2
57 13 1 0 0 0 0 0 0 0 0 0 0 -6.998310 -4.055830 16.867300 1XA 0 -0.29000 -0.29000 UNCH CL3 3
15 12 2 0 0 0 0 0 0 0 0 0 0 -5.244700 -3.518850 14.169400 1XA 0 -0.57000 -0.57000 UNCH O1 4
25 9 1 12 1 17 1 0 0 0 0 0 0 -7.391600 -3.017270 13.454600 1XA 0 -0.54700 -0.54700 UNCH N1 5
2 1 1 7 2 11 1 0 0 0 0 0 0 -11.041300 -4.533690 14.641200 1XA 0 0.17700 0.17700 UNCH C1 6
2 6 2 8 1 15 1 0 0 0 0 0 0 -11.064100 -3.570330 13.619000 1XA 0 -0.15000 -0.15000 UNCH C2 7
2 2 1 7 1 9 2 0 0 0 0 0 0 -9.870990 -3.008240 13.165100 1XA 0 0.17700 0.17700 UNCH C3 8
2 5 1 8 2 10 1 0 0 0 0 0 0 -8.687200 -3.427500 13.748100 1XA 0 0.11700 0.11700 UNCH C4 9
2 9 1 11 2 13 1 0 0 0 0 0 0 -8.659960 -4.384590 14.764900 1XA 0 -0.14350 -0.14350 UNCH C5 10
2 6 1 10 2 16 1 0 0 0 0 0 0 -9.840000 -4.951000 15.224300 1XA 0 -0.15000 -0.15000 UNCH C6 11
2 4 2 5 1 13 1 0 0 0 0 0 0 -6.452930 -3.674540 14.245300 1XA 0 0.56900 0.56900 UNCH C7 12
3 3 1 10 1 12 1 14 1 0 0 0 0 -7.232550 -4.620600 15.193500 1XA 0 0.49450 0.49450 UNCH C8 13
3 13 1 18 1 19 1 20 1 0 0 0 0 -6.773850 -6.061360 15.033100 1XA 0 0.00000 0.00000 UNCH C9 14
41 7 1 0 0 0 0 0 0 0 0 0 0 -12.012000 -3.263980 13.183400 1XA 0 0.15000 0.15000 UNCH H2 15
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.834390 -5.690390 16.020399 1XA 0 0.15000 0.15000 UNCH H6 16
43 5 1 0 0 0 0 0 0 0 0 0 0 -7.142540 -2.333990 12.751600 1XA 0 0.37000 0.37000 UNCH H1 17
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.713680 -6.172440 15.288000 1XA 0 0.00000 0.00000 UNCH H91 18
41 14 1 0 0 0 0 0 0 0 0 0 0 -6.892130 -6.401100 13.997100 1XA 0 0.00000 0.00000 UNCH H92 19
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.349130 -6.743090 15.669600 1XA 0 0.00000 0.00000 UNCH H93 20
30 [DEDSIO,30,30,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
59 7 1 0 0 0 0 0 0 0 0 0 0 -5.927680 -3.748490 17.516500 1XA 0 -0.19000 -0.19000 DEDS I1 1
25 4 1 6 1 8 1 0 0 0 0 0 0 -7.603130 -5.678930 15.254800 1XA 0 -0.32900 -0.32900 DEDS N1 2
15 4 2 0 0 0 0 0 0 0 0 0 0 -9.148510 -7.053610 16.386600 1XA 0 -0.57000 -0.57000 DEDS O1 3
2 2 1 3 2 5 1 0 0 0 0 0 0 -8.039580 -6.671210 16.091499 1XA 0 0.57700 0.57700 DEDS C1 4
3 4 1 6 1 17 1 18 1 0 0 0 0 -6.607100 -7.083470 16.455900 1XA 0 0.05300 0.05300 DEDS C2 5
3 2 1 5 1 7 1 19 1 0 0 0 0 -6.172900 -6.017520 15.427400 1XA 0 0.22500 0.22500 DEDS C3 6
3 1 1 6 1 20 1 21 1 0 0 0 0 -5.277310 -4.839390 15.805400 1XA 0 0.19000 0.19000 DEDS C4 7
1 2 1 9 3 0 0 0 0 0 0 0 0 -8.264370 -4.855180 14.418100 1XA 0 0.04400 0.04400 DEDS C5 8
1 8 3 10 1 0 0 0 0 0 0 0 0 -8.846790 -4.116070 13.673200 1XA 0 -0.10500 -0.10500 DEDS C6 9
2 9 1 11 2 12 1 0 0 0 0 0 0 -9.538650 -3.228580 12.777400 1XA 0 0.82500 0.82500 DEDS C7 10
15 10 2 0 0 0 0 0 0 0 0 0 0 -8.990200 -2.808190 11.771700 1XA 0 -0.57000 -0.57000 DEDS O2 11
16 10 1 13 1 0 0 0 0 0 0 0 0 -10.794500 -2.959140 13.205300 1XA 0 -0.43000 -0.43000 DEDS O3 12
3 12 1 14 1 15 1 16 1 0 0 0 0 -11.661600 -2.082460 12.443300 1XA 0 0.28000 0.28000 DEDS C8 13
3 13 1 22 1 23 1 24 1 0 0 0 0 -11.085400 -0.664567 12.360900 1XA 0 0.00000 0.00000 DEDS C9 14
3 13 1 25 1 26 1 27 1 0 0 0 0 -12.971800 -2.034490 13.244000 1XA 0 0.00000 0.00000 DEDS C10 15
3 13 1 28 1 29 1 30 1 0 0 0 0 -11.956700 -2.661080 11.055000 1XA 0 0.00000 0.00000 DEDS C11 16
41 5 1 0 0 0 0 0 0 0 0 0 0 -6.349070 -6.908780 17.502199 1XA 0 0.00000 0.00000 DEDS H21 17
41 5 1 0 0 0 0 0 0 0 0 0 0 -6.363750 -8.113990 16.183300 1XA 0 0.00000 0.00000 DEDS H22 18
41 6 1 0 0 0 0 0 0 0 0 0 0 -5.785410 -6.481420 14.507700 1XA 0 0.00000 0.00000 DEDS H3 19
41 7 1 0 0 0 0 0 0 0 0 0 0 -4.263650 -5.212280 15.992500 1XA 0 0.00000 0.00000 DEDS H41 20
41 7 1 0 0 0 0 0 0 0 0 0 0 -5.199710 -4.153040 14.953900 1XA 0 0.00000 0.00000 DEDS H42 21
41 14 1 0 0 0 0 0 0 0 0 0 0 -11.808600 0.034962 11.928000 1XA 0 0.00000 0.00000 DEDS H91 22
41 14 1 0 0 0 0 0 0 0 0 0 0 -10.801900 -0.301773 13.355300 1XA 0 0.00000 0.00000 DEDS H92 23
41 14 1 0 0 0 0 0 0 0 0 0 0 -10.182700 -0.625625 11.743900 1XA 0 0.00000 0.00000 DEDS H93 24
41 15 1 0 0 0 0 0 0 0 0 0 0 -13.719200 -1.394250 12.763800 1XA 0 0.00000 0.00000 DEDS H101 25
41 15 1 0 0 0 0 0 0 0 0 0 0 -12.794800 -1.658980 14.258700 1XA 0 0.00000 0.00000 DEDS H102 26
41 15 1 0 0 0 0 0 0 0 0 0 0 -13.396900 -3.038780 13.356200 1XA 0 0.00000 0.00000 DEDS H103 27
41 16 1 0 0 0 0 0 0 0 0 0 0 -11.069600 -2.658390 10.414300 1XA 0 0.00000 0.00000 DEDS H111 28
41 16 1 0 0 0 0 0 0 0 0 0 0 -12.734100 -2.085980 10.540600 1XA 0 0.00000 0.00000 DEDS H112 29
41 16 1 0 0 0 0 0 0 0 0 0 0 -12.286500 -3.703380 11.130300 1XA 0 0.00000 0.00000 DEDS H113 30
24 [DEFGIE,24,24,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
18 5 1 0 0 0 0 0 0 0 0 0 0 -7.650280 -1.963780 17.598900 1XA 0 -0.63300 -0.63300 DEFG O1 1
15 14 2 0 0 0 0 0 0 0 0 0 0 -8.296950 -8.617430 11.963100 1XA 0 -0.57000 -0.57000 DEFG O2 2
25 15 1 7 1 4 1 0 0 0 0 0 0 -7.867610 -3.243180 15.436200 1XA 0 -0.45800 -0.45800 DEFG N1 3
25 3 1 5 2 0 0 0 0 0 0 0 0 -8.769590 -2.235200 15.640200 1XA 0 -0.24900 -0.24900 DEFG N2 4
31 1 1 4 2 13 1 0 0 0 0 0 0 -8.553930 -1.640520 16.750999 1XA 0 0.74100 0.74100 DEFG N3 5
25 19 1 18 1 14 1 0 0 0 0 0 0 -10.415300 -7.900030 11.686300 1XA 0 -0.80000 -0.80000 DEFG N4 6
2 3 1 12 1 8 2 0 0 0 0 0 0 -8.244730 -4.350160 14.656700 1XA 0 0.10000 0.10000 DEFG C1 7
2 7 2 16 1 9 1 0 0 0 0 0 0 -7.456530 -5.508220 14.688300 1XA 0 -0.15000 -0.15000 DEFG C2 8
2 8 1 17 1 10 2 0 0 0 0 0 0 -7.762980 -6.610540 13.883000 1XA 0 -0.15000 -0.15000 DEFG C3 9
2 9 2 14 1 11 1 0 0 0 0 0 0 -8.859950 -6.567790 13.016900 1XA 0 0.08620 0.08620 DEFG C4 10
2 10 1 20 1 12 2 0 0 0 0 0 0 -9.626910 -5.401100 12.941500 1XA 0 -0.15000 -0.15000 DEFG C5 11
2 7 1 11 2 21 1 0 0 0 0 0 0 -9.312890 -4.301820 13.750800 1XA 0 -0.15000 -0.15000 DEFG C6 12
3 5 1 24 1 23 1 22 1 0 0 0 0 -9.453200 -0.521867 17.048599 1XA 0 0.09900 0.09900 DEFG C7 13
2 2 2 6 1 10 1 0 0 0 0 0 0 -9.146840 -7.763020 12.179300 1XA 0 0.54380 0.54380 DEFG C8 14
43 3 1 0 0 0 0 0 0 0 0 0 0 -7.292850 -3.451780 16.259399 1XA 0 0.40000 0.40000 DEFG H1 15
41 8 1 0 0 0 0 0 0 0 0 0 0 -6.589380 -5.564010 15.342700 1XA 0 0.15000 0.15000 DEFG H2 16
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.138380 -7.500760 13.930900 1XA 0 0.15000 0.15000 DEFG H3 17
43 6 1 0 0 0 0 0 0 0 0 0 0 -10.614600 -8.783110 11.233000 1XA 0 0.37000 0.37000 DEFG H41 18
43 6 1 0 0 0 0 0 0 0 0 0 0 -11.197900 -7.391750 12.071000 1XA 0 0.37000 0.37000 DEFG H42 19
41 11 1 0 0 0 0 0 0 0 0 0 0 -10.449300 -5.311710 12.238400 1XA 0 0.15000 0.15000 DEFG H5 20
41 12 1 0 0 0 0 0 0 0 0 0 0 -9.907940 -3.396540 13.657400 1XA 0 0.15000 0.15000 DEFG H6 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -9.160070 -0.067741 17.998501 1XA 0 0 |
