D0Y4KU AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 2.083 0.397 1.213 1.00 0.00 C HETATM 2 C UNL 1 2.456 -0.137 2.782 1.00 0.00 C HETATM 3 C UNL 1 2.443 1.134 3.623 1.00 0.00 C HETATM 4 C UNL 1 3.404 1.979 2.846 1.00 0.00 C HETATM 5 C UNL 1 4.212 1.447 1.624 1.00 0.00 C HETATM 6 C UNL 1 3.210 1.451 0.507 1.00 0.00 C HETATM 7 N UNL 1 2.828 2.993 0.003 1.00 0.00 N HETATM 8 C UNL 1 3.699 4.258 0.391 1.00 0.00 C HETATM 9 N UNL 1 3.357 6.046 -0.080 1.00 0.00 N HETATM 10 C UNL 1 3.529 7.330 1.239 1.00 0.00 C HETATM 11 C UNL 1 4.093 6.848 2.843 1.00 0.00 C HETATM 12 C UNL 1 4.577 5.216 3.090 1.00 0.00 C HETATM 13 N UNL 1 4.354 3.951 1.907 1.00 0.00 N HETATM 14 N UNL 1 3.857 8.875 1.139 1.00 0.00 N HETATM 15 C UNL 1 4.183 9.938 2.120 1.00 0.00 C HETATM 16 C UNL 1 4.805 11.033 1.430 1.00 0.00 C HETATM 17 C UNL 1 4.561 10.753 0.055 1.00 0.00 C HETATM 18 C UNL 1 3.977 9.508 -0.100 1.00 0.00 C HETATM 19 C UNL 1 3.997 10.137 3.522 1.00 0.00 C HETATM 20 C UNL 1 4.355 11.381 4.133 1.00 0.00 C HETATM 21 C UNL 1 5.077 12.368 3.466 1.00 0.00 C HETATM 22 C UNL 1 5.406 12.191 2.130 1.00 0.00 C HETATM 23 O UNL 1 6.207 13.115 1.449 1.00 0.00 O HETATM 24 C UNL 1 2.697 1.528 5.085 1.00 0.00 C HETATM 25 C UNL 1 7.037 14.136 2.111 1.00 0.00 C HETATM 26 C UNL 1 8.464 13.647 2.483 1.00 0.00 C HETATM 27 C UNL 1 9.434 14.723 3.020 1.00 0.00 C HETATM 28 S UNL 1 11.095 14.105 3.399 1.00 0.00 S HETATM 29 O UNL 1 2.972 0.676 5.918 1.00 0.00 O HETATM 30 N UNL 1 2.558 2.932 5.434 1.00 0.00 N HETATM 31 C UNL 1 2.544 3.175 6.898 1.00 0.00 C HETATM 32 C UNL 1 2.476 4.286 4.677 1.00 0.00 C HETATM 33 C UNL 1 2.113 4.813 3.134 1.00 0.00 C HETATM 34 N UNL 1 2.846 5.425 1.759 1.00 0.00 N HETATM 35 C UNL 1 1.428 5.440 0.693 1.00 0.00 C HETATM 36 C UNL 1 0.183 6.158 1.166 1.00 0.00 C HETATM 37 C UNL 1 -0.166 5.664 2.535 1.00 0.00 C HETATM 38 C UNL 1 1.051 5.943 3.387 1.00 0.00 C HETATM 39 C UNL 1 4.823 5.742 1.117 1.00 0.00 C HETATM 40 C UNL 1 10.887 12.873 4.669 1.00 0.00 C HETATM 41 O UNL 1 11.611 13.432 2.220 1.00 0.00 O HETATM 42 O UNL 1 11.844 15.193 4.003 1.00 0.00 O HETATM 43 H UNL 1 1.077 0.830 1.251 1.00 0.00 H HETATM 44 H UNL 1 2.036 -0.524 0.613 1.00 0.00 H HETATM 45 H UNL 1 3.437 -0.643 2.823 1.00 0.00 H HETATM 46 H UNL 1 1.763 -0.906 3.144 1.00 0.00 H HETATM 47 H UNL 1 1.385 1.429 3.560 1.00 0.00 H HETATM 48 H UNL 1 4.063 2.531 3.505 1.00 0.00 H HETATM 49 H UNL 1 2.652 2.624 2.422 1.00 0.00 H HETATM 50 H UNL 1 4.635 0.453 1.776 1.00 0.00 H HETATM 51 H UNL 1 5.079 2.040 1.346 1.00 0.00 H HETATM 52 H UNL 1 3.546 0.953 -0.409 1.00 0.00 H HETATM 53 H UNL 1 2.131 3.184 0.713 1.00 0.00 H HETATM 54 H UNL 1 4.234 7.539 3.640 1.00 0.00 H HETATM 55 H UNL 1 5.192 4.880 3.912 1.00 0.00 H HETATM 56 H UNL 1 4.755 11.457 -0.745 1.00 0.00 H HETATM 57 H UNL 1 3.686 8.983 -1.002 1.00 0.00 H HETATM 58 H UNL 1 3.500 9.416 4.162 1.00 0.00 H HETATM 59 H UNL 1 4.057 11.590 5.163 1.00 0.00 H HETATM 60 H UNL 1 5.310 13.293 3.997 1.00 0.00 H HETATM 61 H UNL 1 6.538 14.615 2.962 1.00 0.00 H HETATM 62 H UNL 1 7.158 14.941 1.371 1.00 0.00 H HETATM 63 H UNL 1 8.913 13.191 1.593 1.00 0.00 H HETATM 64 H UNL 1 8.371 12.851 3.224 1.00 0.00 H HETATM 65 H UNL 1 9.070 15.200 3.937 1.00 0.00 H HETATM 66 H UNL 1 9.602 15.514 2.275 1.00 0.00 H HETATM 67 H UNL 1 2.361 2.275 7.495 1.00 0.00 H HETATM 68 H UNL 1 1.738 3.880 7.145 1.00 0.00 H HETATM 69 H UNL 1 3.491 3.627 7.206 1.00 0.00 H HETATM 70 H UNL 1 3.196 4.971 5.147 1.00 0.00 H HETATM 71 H UNL 1 1.534 4.562 5.167 1.00 0.00 H HETATM 72 H UNL 1 1.546 3.965 2.746 1.00 0.00 H HETATM 73 H UNL 1 1.074 4.418 0.552 1.00 0.00 H HETATM 74 H UNL 1 1.528 5.805 -0.344 1.00 0.00 H HETATM 75 H UNL 1 -0.638 5.943 0.469 1.00 0.00 H HETATM 76 H UNL 1 0.363 7.233 1.141 1.00 0.00 H HETATM 77 H UNL 1 -0.398 4.587 2.511 1.00 0.00 H HETATM 78 H UNL 1 -1.053 6.170 2.910 1.00 0.00 H HETATM 79 H UNL 1 0.742 6.060 4.425 1.00 0.00 H HETATM 80 H UNL 1 1.467 6.931 3.138 1.00 0.00 H HETATM 81 H UNL 1 5.412 6.656 1.401 1.00 0.00 H HETATM 82 H UNL 1 5.098 5.813 -0.007 1.00 0.00 H HETATM 83 H UNL 1 5.669 4.993 1.255 1.00 0.00 H HETATM 84 H UNL 1 10.268 12.059 4.281 1.00 0.00 H HETATM 85 H UNL 1 10.431 13.336 5.542 1.00 0.00 H HETATM 86 H UNL 1 11.873 12.483 4.927 1.00 0.00 H CONECT 1 2 6 43 44 CONECT 2 1 3 45 46 CONECT 3 2 4 24 47 CONECT 4 3 5 48 49 CONECT 5 4 6 50 51 CONECT 6 5 1 7 52 CONECT 7 8 6 53 CONECT 8 7 9 13 CONECT 9 8 10 CONECT 10 9 11 14 CONECT 11 10 12 54 CONECT 12 11 13 55 CONECT 13 12 8 CONECT 14 10 15 18 CONECT 15 14 16 19 CONECT 16 15 17 22 CONECT 17 16 18 56 CONECT 18 17 14 57 CONECT 19 15 20 58 CONECT 20 19 21 59 CONECT 21 20 22 60 CONECT 22 21 16 23 CONECT 23 22 25 CONECT 24 3 29 30 CONECT 25 23 26 61 62 CONECT 26 25 27 63 64 CONECT 27 26 28 65 66 CONECT 28 27 40 41 42 CONECT 29 24 CONECT 30 24 31 32 CONECT 31 30 67 68 69 CONECT 32 30 33 70 71 CONECT 33 32 34 38 72 CONECT 34 33 35 39 CONECT 35 34 36 73 74 CONECT 36 35 37 75 76 CONECT 37 36 38 77 78 CONECT 38 37 33 79 80 CONECT 39 34 81 82 83 CONECT 40 28 84 85 86 CONECT 41 28 CONECT 42 28 CONECT 43 1 CONECT 44 1 CONECT 45 2 CONECT 46 2 CONECT 47 3 CONECT 48 4 CONECT 49 4 CONECT 50 5 CONECT 51 5 CONECT 52 6 CONECT 53 7 CONECT 54 11 CONECT 55 12 CONECT 56 17 CONECT 57 18 CONECT 58 19 CONECT 59 20 CONECT 60 21 CONECT 61 25 CONECT 62 25 CONECT 63 26 CONECT 64 26 CONECT 65 27 CONECT 66 27 CONECT 67 31 CONECT 68 31 CONECT 69 31 CONECT 70 32 CONECT 71 32 CONECT 72 33 CONECT 73 35 CONECT 74 35 CONECT 75 36 CONECT 76 36 CONECT 77 37 CONECT 78 37 CONECT 79 38 CONECT 80 38 CONECT 81 39 CONECT 82 39 CONECT 83 39 CONECT 84 40 CONECT 85 40 CONECT 86 40 MASTER 0 0 0 0 0 0 0 0 86 0 86 0 END M END $$$$