D0IT9C AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 -0.656 -0.065 0.821 1.00 0.00 C HETATM 2 C UNL 1 -1.667 0.894 1.119 1.00 0.00 C HETATM 3 C UNL 1 -2.823 0.885 0.353 1.00 0.00 C HETATM 4 C UNL 1 -2.865 -0.064 -0.689 1.00 0.00 C HETATM 5 C UNL 1 -2.454 -1.260 -0.122 1.00 0.00 C HETATM 6 C UNL 1 -1.092 -1.271 0.263 1.00 0.00 C HETATM 7 C UNL 1 -3.411 -1.903 0.901 1.00 0.00 C HETATM 8 C UNL 1 -2.153 0.502 -1.989 1.00 0.00 C HETATM 9 N UNL 1 -2.172 2.041 -2.253 1.00 0.00 N HETATM 10 C UNL 1 -0.764 1.984 -3.026 1.00 0.00 C HETATM 11 C UNL 1 -3.364 6.414 -5.634 1.00 0.00 C HETATM 12 C UNL 1 -2.714 5.306 -4.982 1.00 0.00 C HETATM 13 C UNL 1 -1.533 4.362 -5.563 1.00 0.00 C HETATM 14 C UNL 1 -0.766 2.763 -5.145 1.00 0.00 C HETATM 15 C UNL 1 -0.381 1.356 -4.075 1.00 0.00 C HETATM 16 C UNL 1 -2.982 -2.682 1.952 1.00 0.00 C HETATM 17 N UNL 1 -3.783 -3.352 2.831 1.00 0.00 N HETATM 18 C UNL 1 -5.119 -3.354 2.579 1.00 0.00 C HETATM 19 C UNL 1 -5.602 -2.789 1.416 1.00 0.00 C HETATM 20 C UNL 1 -4.796 -1.984 0.638 1.00 0.00 C HETATM 21 C UNL 1 -6.022 -3.898 3.704 1.00 0.00 C HETATM 22 N UNL 1 -5.471 -4.364 4.919 1.00 0.00 N HETATM 23 O UNL 1 -7.240 -3.985 3.546 1.00 0.00 O HETATM 24 C UNL 1 -0.918 5.565 -6.746 1.00 0.00 C HETATM 25 C UNL 1 -0.392 4.765 -7.813 1.00 0.00 C HETATM 26 C UNL 1 1.052 4.577 -8.102 1.00 0.00 C HETATM 27 C UNL 1 2.087 5.349 -7.548 1.00 0.00 C HETATM 28 C UNL 1 1.596 6.495 -6.885 1.00 0.00 C HETATM 29 C UNL 1 0.144 6.622 -6.489 1.00 0.00 C HETATM 30 C UNL 1 -6.281 -4.939 5.986 1.00 0.00 C HETATM 31 C UNL 1 -7.140 -6.153 5.864 1.00 0.00 C HETATM 32 CL UNL 1 -3.405 4.809 -3.474 1.00 0.00 Cl HETATM 33 C UNL 1 -0.178 8.086 -6.214 1.00 0.00 C HETATM 34 C UNL 1 -7.748 -6.276 7.305 1.00 0.00 C HETATM 35 O UNL 1 -7.271 -6.892 8.227 1.00 0.00 O HETATM 36 O UNL 1 -8.916 -5.570 7.387 1.00 0.00 O HETATM 37 C UNL 1 3.452 4.629 -7.074 1.00 0.00 C HETATM 38 F UNL 1 3.541 3.288 -7.236 1.00 0.00 F HETATM 39 F UNL 1 4.582 5.136 -7.681 1.00 0.00 F HETATM 40 F UNL 1 3.693 4.840 -5.732 1.00 0.00 F HETATM 41 C UNL 1 0.817 0.260 0.728 1.00 0.00 C HETATM 42 F UNL 1 1.029 1.589 0.969 1.00 0.00 F HETATM 43 F UNL 1 1.624 -0.416 1.584 1.00 0.00 F HETATM 44 F UNL 1 1.322 0.050 -0.522 1.00 0.00 F HETATM 45 H UNL 1 -1.595 1.514 2.000 1.00 0.00 H HETATM 46 H UNL 1 -3.715 1.488 0.579 1.00 0.00 H HETATM 47 H UNL 1 -0.562 -2.171 0.564 1.00 0.00 H HETATM 48 H UNL 1 -2.454 -0.037 -2.901 1.00 0.00 H HETATM 49 H UNL 1 -1.106 0.138 -1.846 1.00 0.00 H HETATM 50 H UNL 1 -1.891 2.490 -1.378 1.00 0.00 H HETATM 51 H UNL 1 -3.830 7.207 -6.101 1.00 0.00 H HETATM 52 H UNL 1 -0.292 2.472 -6.121 1.00 0.00 H HETATM 53 H UNL 1 -1.020 0.520 -4.443 1.00 0.00 H HETATM 54 H UNL 1 -1.912 -2.848 2.115 1.00 0.00 H HETATM 55 H UNL 1 -6.618 -2.902 1.055 1.00 0.00 H HETATM 56 H UNL 1 -5.265 -1.489 -0.205 1.00 0.00 H HETATM 57 H UNL 1 -4.468 -4.436 4.908 1.00 0.00 H HETATM 58 H UNL 1 -1.021 3.950 -8.167 1.00 0.00 H HETATM 59 H UNL 1 1.307 3.596 -8.512 1.00 0.00 H HETATM 60 H UNL 1 2.315 7.179 -6.409 1.00 0.00 H HETATM 61 H UNL 1 -6.980 -4.138 6.207 1.00 0.00 H HETATM 62 H UNL 1 -5.560 -5.133 6.783 1.00 0.00 H HETATM 63 H UNL 1 -6.592 -7.042 5.614 1.00 0.00 H HETATM 64 H UNL 1 -7.954 -5.984 5.141 1.00 0.00 H HETATM 65 H UNL 1 0.743 8.682 -6.098 1.00 0.00 H HETATM 66 H UNL 1 -0.774 8.261 -5.315 1.00 0.00 H HETATM 67 H UNL 1 -0.671 8.505 -7.102 1.00 0.00 H HETATM 68 H UNL 1 -9.161 -5.085 6.629 1.00 0.00 H CONECT 1 2 6 41 CONECT 2 1 3 45 CONECT 3 2 4 46 CONECT 4 3 5 8 CONECT 5 4 6 7 CONECT 6 5 1 47 CONECT 7 5 16 20 CONECT 8 4 9 48 49 CONECT 9 8 10 50 CONECT 10 9 11 15 CONECT 11 10 12 51 CONECT 12 11 13 32 CONECT 13 12 14 24 CONECT 14 13 15 52 CONECT 15 14 10 53 CONECT 16 7 17 54 CONECT 17 16 18 CONECT 18 17 19 21 CONECT 19 18 20 55 CONECT 20 19 7 56 CONECT 21 18 22 23 CONECT 22 21 30 57 CONECT 23 21 CONECT 24 13 25 29 CONECT 25 24 26 58 CONECT 26 25 27 59 CONECT 27 26 28 37 CONECT 28 27 29 60 CONECT 29 28 24 33 CONECT 30 22 31 61 62 CONECT 31 30 34 63 64 CONECT 32 12 CONECT 33 29 65 66 67 CONECT 34 31 35 36 CONECT 35 34 CONECT 36 34 68 CONECT 37 27 38 39 40 CONECT 38 37 CONECT 39 37 CONECT 40 37 CONECT 41 1 42 43 44 CONECT 42 41 CONECT 43 41 CONECT 44 41 CONECT 45 2 CONECT 46 3 CONECT 47 6 CONECT 48 8 CONECT 49 8 CONECT 50 9 CONECT 51 11 CONECT 52 14 CONECT 53 15 CONECT 54 16 CONECT 55 19 CONECT 56 20 CONECT 57 22 CONECT 58 25 CONECT 59 26 CONECT 60 28 CONECT 61 30 CONECT 62 30 CONECT 63 31 CONECT 64 31 CONECT 65 33 CONECT 66 33 CONECT 67 33 CONECT 68 36 MASTER 0 0 0 0 0 0 0 0 68 0 68 0 END M END $$$$