D0O2EF AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.300 -0.179 0.396 1.00 0.00 C HETATM 2 C UNL 1 0.479 -0.095 1.510 1.00 0.00 C HETATM 3 C UNL 1 0.990 0.679 2.575 1.00 0.00 C HETATM 4 C UNL 1 2.139 1.502 2.381 1.00 0.00 C HETATM 5 C UNL 1 2.598 1.716 1.080 1.00 0.00 C HETATM 6 C UNL 1 2.096 0.925 0.058 1.00 0.00 C HETATM 7 N UNL 1 2.940 2.034 3.442 1.00 0.00 N HETATM 8 C UNL 1 4.364 1.816 3.581 1.00 0.00 C HETATM 9 C UNL 1 4.882 0.392 3.208 1.00 0.00 C HETATM 10 C UNL 1 3.950 -0.507 3.611 1.00 0.00 C HETATM 11 C UNL 1 3.844 -0.607 4.996 1.00 0.00 C HETATM 12 C UNL 1 5.013 -0.858 5.684 1.00 0.00 C HETATM 13 C UNL 1 6.161 -0.827 4.884 1.00 0.00 C HETATM 14 C UNL 1 6.106 -0.087 3.681 1.00 0.00 C HETATM 15 C UNL 1 5.084 -0.857 7.158 1.00 0.00 C HETATM 16 C UNL 1 4.397 -1.627 8.123 1.00 0.00 C HETATM 17 C UNL 1 4.824 -1.602 9.476 1.00 0.00 C HETATM 18 C UNL 1 5.721 -0.617 9.869 1.00 0.00 C HETATM 19 C UNL 1 6.548 -0.193 8.857 1.00 0.00 C HETATM 20 C UNL 1 5.869 0.151 7.703 1.00 0.00 C HETATM 21 O UNL 1 5.069 2.601 4.205 1.00 0.00 O HETATM 22 O UNL 1 1.813 -1.440 0.039 1.00 0.00 O HETATM 23 C UNL 1 1.667 -2.479 1.048 1.00 0.00 C HETATM 24 O UNL 1 2.487 1.292 -1.198 1.00 0.00 O HETATM 25 C UNL 1 1.487 1.116 -2.205 1.00 0.00 C HETATM 26 O UNL 1 -0.643 -0.885 1.649 1.00 0.00 O HETATM 27 C UNL 1 -1.210 -1.428 0.418 1.00 0.00 C HETATM 28 N UNL 1 7.039 -0.432 2.618 1.00 0.00 N1+ HETATM 29 O UNL 1 6.947 0.193 1.586 1.00 0.00 O HETATM 30 O UNL 1 7.834 -1.366 2.814 1.00 0.00 O1- HETATM 31 H UNL 1 0.597 0.494 3.576 1.00 0.00 H HETATM 32 H UNL 1 3.346 2.474 0.880 1.00 0.00 H HETATM 33 H UNL 1 2.481 2.161 4.342 1.00 0.00 H HETATM 34 H UNL 1 3.120 -0.620 2.946 1.00 0.00 H HETATM 35 H UNL 1 3.025 -0.109 5.508 1.00 0.00 H HETATM 36 H UNL 1 7.052 -1.399 5.161 1.00 0.00 H HETATM 37 H UNL 1 3.481 -2.174 7.909 1.00 0.00 H HETATM 38 H UNL 1 4.484 -2.320 10.219 1.00 0.00 H HETATM 39 H UNL 1 5.239 0.186 10.456 1.00 0.00 H HETATM 40 H UNL 1 7.287 -0.992 8.619 1.00 0.00 H HETATM 41 H UNL 1 5.284 1.089 7.754 1.00 0.00 H HETATM 42 H UNL 1 1.873 -2.152 2.076 1.00 0.00 H HETATM 43 H UNL 1 2.355 -3.296 0.827 1.00 0.00 H HETATM 44 H UNL 1 0.667 -2.919 1.021 1.00 0.00 H HETATM 45 H UNL 1 1.705 1.816 -3.022 1.00 0.00 H HETATM 46 H UNL 1 0.466 1.337 -1.862 1.00 0.00 H HETATM 47 H UNL 1 1.551 0.102 -2.602 1.00 0.00 H HETATM 48 H UNL 1 -1.748 -2.346 0.679 1.00 0.00 H HETATM 49 H UNL 1 -0.482 -1.721 -0.349 1.00 0.00 H HETATM 50 H UNL 1 -1.912 -0.728 -0.046 1.00 0.00 H CONECT 1 2 6 22 CONECT 2 1 3 26 CONECT 3 2 4 31 CONECT 4 3 5 7 CONECT 5 4 6 32 CONECT 6 5 1 24 CONECT 7 4 8 33 CONECT 8 7 9 21 CONECT 9 8 10 14 CONECT 10 9 11 34 CONECT 11 10 12 35 CONECT 12 11 13 15 CONECT 13 12 14 36 CONECT 14 13 9 28 CONECT 15 12 16 20 CONECT 16 15 17 37 CONECT 17 16 18 38 CONECT 18 17 19 39 CONECT 19 18 20 40 CONECT 20 19 15 41 CONECT 21 8 CONECT 22 1 23 CONECT 23 22 42 43 44 CONECT 24 6 25 CONECT 25 24 45 46 47 CONECT 26 2 27 CONECT 27 26 48 49 50 CONECT 28 14 29 30 CONECT 29 28 CONECT 30 28 CONECT 31 3 CONECT 32 5 CONECT 33 7 CONECT 34 10 CONECT 35 11 CONECT 36 13 CONECT 37 16 CONECT 38 17 CONECT 39 18 CONECT 40 19 CONECT 41 20 CONECT 42 23 CONECT 43 23 CONECT 44 23 CONECT 45 25 CONECT 46 25 CONECT 47 25 CONECT 48 27 CONECT 49 27 CONECT 50 27 MASTER 0 0 0 0 0 0 0 0 50 0 50 0 END M END $$$$