D0PU1L AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 0.850 0.453 -0.974 1.00 0.00 C HETATM 2 C UNL 1 -0.033 -0.135 -1.954 1.00 0.00 C HETATM 3 C UNL 1 0.234 0.199 -3.279 1.00 0.00 C HETATM 4 C UNL 1 0.513 -0.847 -4.124 1.00 0.00 C HETATM 5 C UNL 1 -0.023 -2.090 -3.847 1.00 0.00 C HETATM 6 C UNL 1 -0.700 -2.323 -2.629 1.00 0.00 C HETATM 7 C UNL 1 -0.647 -1.359 -1.655 1.00 0.00 C HETATM 8 C UNL 1 0.030 -3.071 -4.921 1.00 0.00 C HETATM 9 O UNL 1 0.265 -4.327 -4.496 1.00 0.00 O HETATM 10 O UNL 1 -0.157 -2.775 -6.095 1.00 0.00 O HETATM 11 N UNL 1 0.495 0.973 0.163 1.00 0.00 N HETATM 12 C UNL 1 1.479 1.734 0.741 1.00 0.00 C HETATM 13 C UNL 1 2.733 1.416 0.269 1.00 0.00 C HETATM 14 S UNL 1 2.555 0.485 -1.161 1.00 0.00 S HETATM 15 C UNL 1 4.092 1.762 0.765 1.00 0.00 C HETATM 16 O UNL 1 1.269 2.655 1.690 1.00 0.00 O HETATM 17 C UNL 1 -0.072 3.177 1.714 1.00 0.00 C HETATM 18 C UNL 1 -0.595 2.933 3.114 1.00 0.00 C HETATM 19 O UNL 1 0.197 3.752 3.955 1.00 0.00 O HETATM 20 C UNL 1 -0.055 3.518 5.329 1.00 0.00 C HETATM 21 C UNL 1 0.873 4.432 6.108 1.00 0.00 C HETATM 22 C UNL 1 0.656 4.269 7.602 1.00 0.00 C HETATM 23 C UNL 1 1.568 5.188 8.392 1.00 0.00 C HETATM 24 F UNL 1 1.527 -0.696 -4.993 1.00 0.00 F HETATM 25 H UNL 1 -0.458 0.922 -3.746 1.00 0.00 H HETATM 26 H UNL 1 -1.160 -3.282 -2.436 1.00 0.00 H HETATM 27 H UNL 1 -1.015 -1.579 -0.654 1.00 0.00 H HETATM 28 H UNL 1 0.578 -4.449 -3.579 1.00 0.00 H HETATM 29 H UNL 1 -0.474 0.864 0.439 1.00 0.00 H HETATM 30 H UNL 1 4.069 2.629 1.431 1.00 0.00 H HETATM 31 H UNL 1 4.782 1.980 -0.057 1.00 0.00 H HETATM 32 H UNL 1 4.499 0.913 1.327 1.00 0.00 H HETATM 33 H UNL 1 -0.753 2.733 0.980 1.00 0.00 H HETATM 34 H UNL 1 -0.017 4.247 1.487 1.00 0.00 H HETATM 35 H UNL 1 -0.456 1.878 3.383 1.00 0.00 H HETATM 36 H UNL 1 -1.651 3.204 3.197 1.00 0.00 H HETATM 37 H UNL 1 0.152 2.468 5.566 1.00 0.00 H HETATM 38 H UNL 1 -1.104 3.741 5.548 1.00 0.00 H HETATM 39 H UNL 1 0.705 5.473 5.801 1.00 0.00 H HETATM 40 H UNL 1 1.914 4.208 5.844 1.00 0.00 H HETATM 41 H UNL 1 0.844 3.229 7.893 1.00 0.00 H HETATM 42 H UNL 1 -0.389 4.492 7.849 1.00 0.00 H HETATM 43 H UNL 1 2.620 4.960 8.193 1.00 0.00 H HETATM 44 H UNL 1 1.387 5.066 9.463 1.00 0.00 H HETATM 45 H UNL 1 1.388 6.235 8.130 1.00 0.00 H CONECT 1 2 11 14 CONECT 2 1 3 7 CONECT 3 2 4 25 CONECT 4 3 5 24 CONECT 5 4 6 8 CONECT 6 5 7 26 CONECT 7 6 2 27 CONECT 8 5 9 10 CONECT 9 8 28 CONECT 10 8 CONECT 11 1 12 29 CONECT 12 11 13 16 CONECT 13 12 14 15 CONECT 14 13 1 CONECT 15 13 30 31 32 CONECT 16 12 17 CONECT 17 16 18 33 34 CONECT 18 17 19 35 36 CONECT 19 18 20 CONECT 20 19 21 37 38 CONECT 21 20 22 39 40 CONECT 22 21 23 41 42 CONECT 23 22 43 44 45 CONECT 24 4 CONECT 25 3 CONECT 26 6 CONECT 27 7 CONECT 28 9 CONECT 29 11 CONECT 30 15 CONECT 31 15 CONECT 32 15 CONECT 33 17 CONECT 34 17 CONECT 35 18 CONECT 36 18 CONECT 37 20 CONECT 38 20 CONECT 39 21 CONECT 40 21 CONECT 41 22 CONECT 42 22 CONECT 43 23 CONECT 44 23 CONECT 45 23 MASTER 0 0 0 0 0 0 0 0 45 0 45 0 END M END $$$$