COMPND tan2 AUTHOR GENERATED BY OPEN BABEL 2.0.1 ATOM 1 SB UNK 0 0.176 4.542 6.711 1.00 0.00 SB ATOM 2 O UNK 0 2.091 4.824 6.331 1.00 0.00 O ATOM 3 O UNK 0 2.314 2.041 4.949 1.00 0.00 O ATOM 4 O UNK 0 4.458 1.075 3.663 1.00 0.00 O ATOM 5 O UNK 0 -1.734 4.825 7.324 1.00 0.00 O ATOM 6 O UNK 0 -2.123 1.986 6.237 1.00 0.00 O HETATM 7 O HOH 1 -4.319 0.727 6.511 1.00 0.00 O HETATM 8 O HOH 2 -3.356 6.657 9.058 1.00 0.00 O ATOM 9 C UNK 0 2.726 3.553 5.444 1.00 0.00 C ATOM 10 C UNK 0 4.787 2.770 4.207 1.00 0.00 C ATOM 11 C UNK 0 3.975 4.050 5.060 1.00 0.00 C ATOM 12 C UNK 0 4.376 5.764 5.535 1.00 0.00 C ATOM 13 C UNK 0 5.536 6.238 5.186 1.00 0.00 C ATOM 14 C UNK 0 6.324 4.973 4.355 1.00 0.00 C ATOM 15 C UNK 0 5.980 3.267 3.876 1.00 0.00 C ATOM 16 C UNK 0 -2.474 3.440 6.998 1.00 0.00 C ATOM 17 C UNK 0 -4.589 2.277 7.322 1.00 0.00 C ATOM 18 C UNK 0 -3.736 3.716 7.629 1.00 0.00 C ATOM 19 C UNK 0 -4.112 5.344 8.575 1.00 0.00 C ATOM 20 C UNK 0 -5.271 5.554 9.202 1.00 0.00 C ATOM 21 C UNK 0 -6.096 4.144 8.906 1.00 0.00 C ATOM 22 C UNK 0 -5.755 2.510 7.951 1.00 0.00 C ATOM 23 C UNK 0 0.465 3.302 8.087 1.00 0.00 C ATOM 24 C UNK 0 0.071 4.155 9.533 1.00 0.00 C ATOM 25 C UNK 0 0.246 3.431 10.526 1.00 0.00 C ATOM 26 C UNK 0 0.812 1.894 10.078 1.00 0.00 C ATOM 27 C UNK 0 1.185 1.055 8.649 1.00 0.00 C ATOM 28 C UNK 0 1.018 1.754 7.642 1.00 0.00 C HETATM 29 C LIG 3 -0.280 3.475 4.440 1.00 0.00 C HETATM 30 C LIG 3 -0.355 4.592 3.775 1.00 0.00 C HETATM 31 C LIG 3 -0.666 3.910 2.271 1.00 0.00 C HETATM 32 C LIG 3 -0.862 2.141 1.451 1.00 0.00 C HETATM 33 C LIG 3 -0.755 1.047 2.120 1.00 0.00 C HETATM 34 C LIG 3 -0.472 1.706 3.631 1.00 0.00 C HETATM 35 C LIG 4 0.281 7.240 7.826 1.00 0.00 C HETATM 36 C LIG 4 -0.671 8.169 7.640 1.00 0.00 C HETATM 37 C LIG 4 -0.589 9.948 8.375 1.00 0.00 C HETATM 38 C LIG 4 0.413 10.785 9.324 1.00 0.00 C HETATM 39 C LIG 4 1.352 9.853 9.527 1.00 0.00 C HETATM 40 C LIG 4 1.305 8.083 8.775 1.00 0.00 C HETATM 41 C LIG 5 1.975 9.596 3.996 1.00 0.00 C HETATM 42 CL LIG 5 0.807 8.633 2.573 1.00 0.00 CL HETATM 43 CL LIG 5 1.387 10.336 5.744 1.00 0.00 CL HETATM 44 CL LIG 5 2.988 7.919 3.767 1.00 0.00 CL ATOM 45 H UNK 0 3.732 0.934 3.931 1.00 0.00 H HETATM 46 H HOH 1 -3.594 0.727 6.184 1.00 0.00 H HETATM 47 H HOH 2 -2.676 6.409 8.615 1.00 0.00 H ATOM 48 H UNK 0 3.837 6.632 6.113 1.00 0.00 H ATOM 49 H UNK 0 5.793 7.419 5.509 1.00 0.00 H ATOM 50 H UNK 0 7.125 5.299 4.109 1.00 0.00 H ATOM 51 H UNK 0 6.543 2.419 3.322 1.00 0.00 H ATOM 52 H UNK 0 -4.359 1.154 6.684 1.00 0.00 H ATOM 53 H UNK 0 -3.555 6.323 8.787 1.00 0.00 H ATOM 54 H UNK 0 -5.507 6.673 9.844 1.00 0.00 H ATOM 55 H UNK 0 -6.893 4.293 9.351 1.00 0.00 H ATOM 56 H UNK 0 -6.330 1.546 7.729 1.00 0.00 H ATOM 57 H UNK 0 -0.313 5.220 9.842 1.00 0.00 H ATOM 58 H UNK 0 -0.026 3.998 11.515 1.00 0.00 H ATOM 59 H UNK 0 0.944 1.416 10.764 1.00 0.00 H ATOM 60 H UNK 0 1.561 -0.014 8.344 1.00 0.00 H ATOM 61 H UNK 0 1.284 1.171 6.651 1.00 0.00 H HETATM 62 H LIG 3 -0.196 5.795 4.333 1.00 0.00 H HETATM 63 H LIG 3 -0.745 4.656 1.800 1.00 0.00 H HETATM 64 H LIG 3 -1.071 1.686 0.424 1.00 0.00 H HETATM 65 H LIG 3 -0.874 -0.161 1.551 1.00 0.00 H HETATM 66 H LIG 3 -0.411 0.958 4.102 1.00 0.00 H HETATM 67 H LIG 4 -1.377 7.588 7.011 1.00 0.00 H HETATM 68 H LIG 4 -1.226 10.591 8.224 1.00 0.00 H HETATM 69 H LIG 4 0.460 12.005 9.838 1.00 0.00 H HETATM 70 H LIG 4 2.037 10.438 10.193 1.00 0.00 H HETATM 71 H LIG 4 1.959 7.450 8.902 1.00 0.00 H HETATM 72 H LIG 5 2.455 10.552 3.867 1.00 0.00 H CONECT 1 2 5 23 CONECT 2 9 1 CONECT 3 9 CONECT 4 45 10 CONECT 5 1 16 CONECT 6 16 CONECT 7 46 CONECT 8 47 CONECT 9 3 11 2 CONECT 10 4 15 11 CONECT 11 10 9 12 CONECT 12 11 13 48 CONECT 13 14 49 12 CONECT 14 15 50 13 CONECT 15 51 10 14 CONECT 16 6 5 18 CONECT 17 52 18 22 CONECT 18 16 17 CONECT 19 53 20 CONECT 20 19 21 54 CONECT 21 22 20 55 CONECT 22 17 56 21 CONECT 23 1 28 24 CONECT 24 23 57 25 CONECT 25 24 26 58 CONECT 26 27 25 59 CONECT 27 28 60 26 CONECT 28 61 23 27 CONECT 29 34 30 CONECT 30 31 62 29 CONECT 31 32 63 30 CONECT 32 64 33 31 CONECT 33 32 65 34 CONECT 34 33 66 29 CONECT 35 36 40 CONECT 36 67 35 37 CONECT 37 36 68 38 CONECT 38 37 39 69 CONECT 39 40 38 70 CONECT 40 35 71 39 CONECT 41 42 44 72 43 CONECT 42 41 CONECT 43 41 CONECT 44 41 CONECT 45 4 CONECT 46 7 CONECT 47 8 CONECT 48 12 CONECT 49 13 CONECT 50 14 CONECT 51 15 CONECT 52 17 CONECT 53 19 CONECT 54 20 CONECT 55 21 CONECT 56 22 CONECT 57 24 CONECT 58 25 CONECT 59 26 CONECT 60 27 CONECT 61 28 CONECT 62 30 CONECT 63 31 CONECT 64 32 CONECT 65 33 CONECT 66 34 CONECT 67 36 CONECT 68 37 CONECT 69 38 CONECT 70 39 CONECT 71 40 CONECT 72 41 MASTER 0 0 0 0 0 0 0 0 72 0 72 0 END