D0J8PJ AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.363 -0.767 2.601 1.00 0.00 C HETATM 2 C UNL 1 0.102 -0.030 3.116 1.00 0.00 C HETATM 3 C UNL 1 -0.641 0.792 2.033 1.00 0.00 C HETATM 4 C UNL 1 -0.311 0.014 0.719 1.00 0.00 C HETATM 5 C UNL 1 0.007 -1.615 0.963 1.00 0.00 C HETATM 6 C UNL 1 0.908 -2.208 2.361 1.00 0.00 C HETATM 7 N UNL 1 2.260 -2.967 2.561 1.00 0.00 N HETATM 8 C UNL 1 3.048 -3.469 3.633 1.00 0.00 C HETATM 9 N UNL 1 2.818 -4.281 4.773 1.00 0.00 N HETATM 10 C UNL 1 3.926 -4.543 5.645 1.00 0.00 C HETATM 11 C UNL 1 5.125 -3.897 5.384 1.00 0.00 C HETATM 12 C UNL 1 5.297 -3.374 4.141 1.00 0.00 C HETATM 13 N UNL 1 4.303 -3.147 3.282 1.00 0.00 N HETATM 14 N UNL 1 4.148 -5.546 6.829 1.00 0.00 N HETATM 15 C UNL 1 3.476 -6.647 7.457 1.00 0.00 C HETATM 16 C UNL 1 4.254 -7.051 8.603 1.00 0.00 C HETATM 17 C UNL 1 5.464 -6.392 8.390 1.00 0.00 C HETATM 18 N UNL 1 5.432 -5.516 7.394 1.00 0.00 N HETATM 19 C UNL 1 2.334 -7.389 7.125 1.00 0.00 C HETATM 20 C UNL 1 2.013 -8.507 7.921 1.00 0.00 C HETATM 21 C UNL 1 2.689 -8.792 9.109 1.00 0.00 C HETATM 22 C UNL 1 3.786 -8.035 9.529 1.00 0.00 C HETATM 23 O UNL 1 4.109 -8.339 10.860 1.00 0.00 O HETATM 24 C UNL 1 -0.608 2.361 2.529 1.00 0.00 C HETATM 25 C UNL 1 5.349 -8.231 11.557 1.00 0.00 C HETATM 26 O UNL 1 -0.606 2.549 3.763 1.00 0.00 O HETATM 27 N UNL 1 -0.736 3.498 1.737 1.00 0.00 N HETATM 28 C UNL 1 5.249 -7.375 12.851 1.00 0.00 C HETATM 29 C UNL 1 5.083 -5.884 12.546 1.00 0.00 C HETATM 30 S UNL 1 4.265 -5.160 13.961 1.00 0.00 S HETATM 31 C UNL 1 4.109 -6.643 14.907 1.00 0.00 C HETATM 32 C UNL 1 4.119 -7.743 13.846 1.00 0.00 C HETATM 33 O UNL 1 2.938 -4.721 13.549 1.00 0.00 O HETATM 34 O UNL 1 5.151 -4.268 14.644 1.00 0.00 O HETATM 35 C UNL 1 -0.778 4.873 2.423 1.00 0.00 C HETATM 36 C UNL 1 -0.529 6.182 1.556 1.00 0.00 C HETATM 37 N UNL 1 0.076 5.904 0.244 1.00 0.00 N HETATM 38 C UNL 1 -0.667 4.790 -0.366 1.00 0.00 C HETATM 39 C UNL 1 -0.322 3.484 0.351 1.00 0.00 C HETATM 40 C UNL 1 -1.726 7.129 1.299 1.00 0.00 C HETATM 41 H UNL 1 2.158 -0.674 3.345 1.00 0.00 H HETATM 42 H UNL 1 1.820 -0.312 1.703 1.00 0.00 H HETATM 43 H UNL 1 0.387 0.550 3.990 1.00 0.00 H HETATM 44 H UNL 1 -0.623 -0.775 3.477 1.00 0.00 H HETATM 45 H UNL 1 -1.722 0.608 2.154 1.00 0.00 H HETATM 46 H UNL 1 0.522 0.466 0.168 1.00 0.00 H HETATM 47 H UNL 1 -1.169 0.072 0.027 1.00 0.00 H HETATM 48 H UNL 1 0.407 -2.018 0.018 1.00 0.00 H HETATM 49 H UNL 1 -0.995 -2.064 1.094 1.00 0.00 H HETATM 50 H UNL 1 0.815 -3.052 1.663 1.00 0.00 H HETATM 51 H UNL 1 2.995 -2.500 2.023 1.00 0.00 H HETATM 52 H UNL 1 5.984 -3.907 6.045 1.00 0.00 H HETATM 53 H UNL 1 6.298 -3.155 3.782 1.00 0.00 H HETATM 54 H UNL 1 6.414 -6.575 8.879 1.00 0.00 H HETATM 55 H UNL 1 1.757 -7.169 6.233 1.00 0.00 H HETATM 56 H UNL 1 1.199 -9.167 7.628 1.00 0.00 H HETATM 57 H UNL 1 2.370 -9.634 9.725 1.00 0.00 H HETATM 58 H UNL 1 6.180 -7.916 10.922 1.00 0.00 H HETATM 59 H UNL 1 5.591 -9.249 11.904 1.00 0.00 H HETATM 60 H UNL 1 6.197 -7.499 13.397 1.00 0.00 H HETATM 61 H UNL 1 4.458 -5.704 11.672 1.00 0.00 H HETATM 62 H UNL 1 6.057 -5.405 12.419 1.00 0.00 H HETATM 63 H UNL 1 3.198 -6.615 15.515 1.00 0.00 H HETATM 64 H UNL 1 4.985 -6.708 15.566 1.00 0.00 H HETATM 65 H UNL 1 3.146 -7.759 13.340 1.00 0.00 H HETATM 66 H UNL 1 4.275 -8.717 14.315 1.00 0.00 H HETATM 67 H UNL 1 0.013 4.853 3.187 1.00 0.00 H HETATM 68 H UNL 1 -1.730 4.950 2.967 1.00 0.00 H HETATM 69 H UNL 1 0.185 6.800 2.118 1.00 0.00 H HETATM 70 H UNL 1 1.044 5.620 0.398 1.00 0.00 H HETATM 71 H UNL 1 -0.399 4.726 -1.421 1.00 0.00 H HETATM 72 H UNL 1 -1.750 4.978 -0.320 1.00 0.00 H HETATM 73 H UNL 1 0.764 3.336 0.356 1.00 0.00 H HETATM 74 H UNL 1 -0.785 2.636 -0.148 1.00 0.00 H HETATM 75 H UNL 1 -2.693 6.651 1.448 1.00 0.00 H HETATM 76 H UNL 1 -1.722 7.525 0.271 1.00 0.00 H HETATM 77 H UNL 1 -1.667 8.025 1.932 1.00 0.00 H CONECT 1 2 6 41 42 CONECT 2 1 3 43 44 CONECT 3 2 4 24 45 CONECT 4 3 5 46 47 CONECT 5 4 6 48 49 CONECT 6 5 1 7 50 CONECT 7 8 6 51 CONECT 8 7 9 13 CONECT 9 8 10 CONECT 10 9 11 14 CONECT 11 10 12 52 CONECT 12 11 13 53 CONECT 13 12 8 CONECT 14 10 15 18 CONECT 15 14 16 19 CONECT 16 15 17 22 CONECT 17 16 18 54 CONECT 18 17 14 CONECT 19 15 20 55 CONECT 20 19 21 56 CONECT 21 20 22 57 CONECT 22 21 16 23 CONECT 23 22 25 CONECT 24 3 26 27 CONECT 25 23 28 58 59 CONECT 26 24 CONECT 27 24 35 39 CONECT 28 25 29 32 60 CONECT 29 28 30 61 62 CONECT 30 29 31 33 34 CONECT 31 30 32 63 64 CONECT 32 31 28 65 66 CONECT 33 30 CONECT 34 30 CONECT 35 27 36 67 68 CONECT 36 35 37 40 69 CONECT 37 36 38 70 CONECT 38 37 39 71 72 CONECT 39 38 27 73 74 CONECT 40 36 75 76 77 CONECT 41 1 CONECT 42 1 CONECT 43 2 CONECT 44 2 CONECT 45 3 CONECT 46 4 CONECT 47 4 CONECT 48 5 CONECT 49 5 CONECT 50 6 CONECT 51 7 CONECT 52 11 CONECT 53 12 CONECT 54 17 CONECT 55 19 CONECT 56 20 CONECT 57 21 CONECT 58 25 CONECT 59 25 CONECT 60 28 CONECT 61 29 CONECT 62 29 CONECT 63 31 CONECT 64 31 CONECT 65 32 CONECT 66 32 CONECT 67 35 CONECT 68 35 CONECT 69 36 CONECT 70 37 CONECT 71 38 CONECT 72 38 CONECT 73 39 CONECT 74 39 CONECT 75 40 CONECT 76 40 CONECT 77 40 MASTER 0 0 0 0 0 0 0 0 77 0 77 0 END M END $$$$