D02PJI AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 O UNL 1 4.477 1.111 -1.071 1.00 0.00 O HETATM 2 O UNL 1 6.116 0.681 2.059 1.00 0.00 O HETATM 3 C UNL 1 7.604 -0.618 -0.721 1.00 0.00 C HETATM 4 O UNL 1 9.463 4.491 -0.167 1.00 0.00 O HETATM 5 N UNL 1 13.232 4.582 2.233 1.00 0.00 N HETATM 6 C UNL 1 11.401 4.115 1.781 1.00 0.00 C HETATM 7 C UNL 1 10.764 3.136 2.730 1.00 0.00 C HETATM 8 C UNL 1 10.055 3.641 3.977 1.00 0.00 C HETATM 9 C UNL 1 11.084 3.567 5.042 1.00 0.00 C HETATM 10 C UNL 1 12.017 2.518 4.917 1.00 0.00 C HETATM 11 C UNL 1 13.318 2.905 4.892 1.00 0.00 C HETATM 12 C UNL 1 13.590 4.124 5.505 1.00 0.00 C HETATM 13 C UNL 1 12.629 5.054 6.015 1.00 0.00 C HETATM 14 C UNL 1 11.330 4.762 5.707 1.00 0.00 C HETATM 15 C UNL 1 13.006 6.327 6.678 1.00 0.00 C HETATM 16 C UNL 1 12.220 7.480 6.833 1.00 0.00 C HETATM 17 C UNL 1 12.794 8.717 7.208 1.00 0.00 C HETATM 18 C UNL 1 14.154 8.852 7.490 1.00 0.00 C HETATM 19 C UNL 1 14.900 7.691 7.288 1.00 0.00 C HETATM 20 C UNL 1 14.321 6.483 7.020 1.00 0.00 C HETATM 21 C UNL 1 16.154 7.797 6.487 1.00 0.00 C HETATM 22 C UNL 1 17.486 8.353 6.570 1.00 0.00 C HETATM 23 C UNL 1 18.119 7.581 5.359 1.00 0.00 C HETATM 24 N UNL 1 17.361 6.938 4.250 1.00 0.00 N HETATM 25 C UNL 1 16.094 5.659 3.894 1.00 0.00 C HETATM 26 C UNL 1 14.263 5.682 3.097 1.00 0.00 C HETATM 27 O UNL 1 19.357 7.563 5.306 1.00 0.00 O HETATM 28 N UNL 1 3.272 0.676 0.919 1.00 0.00 N HETATM 29 C UNL 1 4.532 0.916 0.141 1.00 0.00 C HETATM 30 C UNL 1 6.046 0.928 0.855 1.00 0.00 C HETATM 31 C UNL 1 7.489 1.119 -0.098 1.00 0.00 C HETATM 32 N UNL 1 8.922 2.210 0.522 1.00 0.00 N HETATM 33 C UNL 1 9.980 3.560 0.486 1.00 0.00 C HETATM 34 O UNL 1 13.878 6.864 2.913 1.00 0.00 O HETATM 35 C UNL 1 16.742 4.640 4.970 1.00 0.00 C HETATM 36 C UNL 1 1.941 0.660 0.168 1.00 0.00 C HETATM 37 C UNL 1 0.420 0.659 0.586 1.00 0.00 C HETATM 38 C UNL 1 -0.269 0.661 1.806 1.00 0.00 C HETATM 39 C UNL 1 -1.727 0.648 1.796 1.00 0.00 C HETATM 40 C UNL 1 -2.451 0.781 0.624 1.00 0.00 C HETATM 41 C UNL 1 -1.829 0.265 -0.499 1.00 0.00 C HETATM 42 C UNL 1 -0.471 0.612 -0.540 1.00 0.00 C HETATM 43 C UNL 1 6.319 -1.723 -0.962 1.00 0.00 C HETATM 44 C UNL 1 6.194 -2.703 -2.089 1.00 0.00 C HETATM 45 C UNL 1 4.988 -3.570 -2.140 1.00 0.00 C HETATM 46 C UNL 1 4.066 -3.548 -1.191 1.00 0.00 C HETATM 47 C UNL 1 4.144 -2.481 -0.273 1.00 0.00 C HETATM 48 C UNL 1 5.429 -2.037 0.119 1.00 0.00 C HETATM 49 H UNL 1 8.069 -0.549 -1.708 1.00 0.00 H HETATM 50 H UNL 1 8.286 -1.165 -0.056 1.00 0.00 H HETATM 51 H UNL 1 13.364 5.105 1.371 1.00 0.00 H HETATM 52 H UNL 1 11.022 5.146 1.969 1.00 0.00 H HETATM 53 H UNL 1 11.437 2.284 2.714 1.00 0.00 H HETATM 54 H UNL 1 9.893 2.645 2.329 1.00 0.00 H HETATM 55 H UNL 1 9.203 3.012 4.253 1.00 0.00 H HETATM 56 H UNL 1 9.661 4.658 3.818 1.00 0.00 H HETATM 57 H UNL 1 11.764 1.586 4.417 1.00 0.00 H HETATM 58 H UNL 1 14.053 2.385 4.271 1.00 0.00 H HETATM 59 H UNL 1 14.620 4.367 5.472 1.00 0.00 H HETATM 60 H UNL 1 10.548 5.513 5.804 1.00 0.00 H HETATM 61 H UNL 1 11.167 7.482 6.577 1.00 0.00 H HETATM 62 H UNL 1 12.214 9.630 7.122 1.00 0.00 H HETATM 63 H UNL 1 14.600 9.830 7.644 1.00 0.00 H HETATM 64 H UNL 1 14.990 5.676 6.768 1.00 0.00 H HETATM 65 H UNL 1 15.784 8.090 5.497 1.00 0.00 H HETATM 66 H UNL 1 16.475 6.764 6.519 1.00 0.00 H HETATM 67 H UNL 1 17.949 8.089 7.554 1.00 0.00 H HETATM 68 H UNL 1 17.547 9.458 6.507 1.00 0.00 H HETATM 69 H UNL 1 18.182 6.629 3.731 1.00 0.00 H HETATM 70 H UNL 1 16.603 5.331 2.978 1.00 0.00 H HETATM 71 H UNL 1 3.374 0.084 1.739 1.00 0.00 H HETATM 72 H UNL 1 7.173 1.690 -0.979 1.00 0.00 H HETATM 73 H UNL 1 8.195 2.919 0.589 1.00 0.00 H HETATM 74 H UNL 1 16.626 4.932 6.026 1.00 0.00 H HETATM 75 H UNL 1 17.851 4.663 4.917 1.00 0.00 H HETATM 76 H UNL 1 16.460 3.595 4.895 1.00 0.00 H HETATM 77 H UNL 1 2.002 -0.253 -0.439 1.00 0.00 H HETATM 78 H UNL 1 2.013 1.512 -0.502 1.00 0.00 H HETATM 79 H UNL 1 0.185 0.773 2.782 1.00 0.00 H HETATM 80 H UNL 1 -2.287 0.335 2.684 1.00 0.00 H HETATM 81 H UNL 1 -2.815 1.835 0.449 1.00 0.00 H HETATM 82 H UNL 1 -1.976 -0.832 -0.482 1.00 0.00 H HETATM 83 H UNL 1 -0.222 1.380 -1.299 1.00 0.00 H HETATM 84 H UNL 1 7.016 -3.007 -2.743 1.00 0.00 H HETATM 85 H UNL 1 4.836 -4.274 -2.998 1.00 0.00 H HETATM 86 H UNL 1 3.242 -4.267 -1.091 1.00 0.00 H HETATM 87 H UNL 1 3.596 -1.628 -0.743 1.00 0.00 H HETATM 88 H UNL 1 5.897 -2.931 0.643 1.00 0.00 H CONECT 1 29 CONECT 2 30 CONECT 3 43 31 49 50 CONECT 4 33 CONECT 5 6 26 51 CONECT 6 5 7 33 52 CONECT 7 6 8 53 54 CONECT 8 7 9 55 56 CONECT 9 8 10 14 CONECT 10 9 11 57 CONECT 11 10 12 58 CONECT 12 11 13 59 CONECT 13 12 14 15 CONECT 14 13 9 60 CONECT 15 13 16 20 CONECT 16 15 17 61 CONECT 17 16 18 62 CONECT 18 17 19 63 CONECT 19 18 20 21 CONECT 20 19 15 64 CONECT 21 19 22 65 66 CONECT 22 21 23 67 68 CONECT 23 22 24 27 CONECT 24 23 25 69 CONECT 25 24 26 35 70 CONECT 26 5 25 34 CONECT 27 23 CONECT 28 29 36 71 CONECT 29 1 28 30 CONECT 30 2 29 31 CONECT 31 32 30 3 72 CONECT 32 31 33 73 CONECT 33 4 32 6 CONECT 34 26 CONECT 35 25 74 75 76 CONECT 36 28 37 77 78 CONECT 37 36 38 42 CONECT 38 37 39 79 CONECT 39 38 40 80 CONECT 40 39 41 81 CONECT 41 40 42 82 CONECT 42 41 37 83 CONECT 43 3 44 48 CONECT 44 43 45 84 CONECT 45 44 46 85 CONECT 46 45 47 86 CONECT 47 46 48 87 CONECT 48 47 43 88 CONECT 49 3 CONECT 50 3 CONECT 51 5 CONECT 52 6 CONECT 53 7 CONECT 54 7 CONECT 55 8 CONECT 56 8 CONECT 57 10 CONECT 58 11 CONECT 59 12 CONECT 60 14 CONECT 61 16 CONECT 62 17 CONECT 63 18 CONECT 64 20 CONECT 65 21 CONECT 66 21 CONECT 67 22 CONECT 68 22 CONECT 69 24 CONECT 70 25 CONECT 71 28 CONECT 72 31 CONECT 73 32 CONECT 74 35 CONECT 75 35 CONECT 76 35 CONECT 77 36 CONECT 78 36 CONECT 79 38 CONECT 80 39 CONECT 81 40 CONECT 82 41 CONECT 83 42 CONECT 84 44 CONECT 85 45 CONECT 86 46 CONECT 87 47 CONECT 88 48 MASTER 0 0 0 0 0 0 0 0 88 0 88 0 END M END $$$$