D0S1DI AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 2.323 0.141 1.019 1.00 0.00 C HETATM 2 C UNL 1 3.116 -0.706 1.751 1.00 0.00 C HETATM 3 N UNL 1 3.829 -0.306 2.824 1.00 0.00 N HETATM 4 C UNL 1 3.671 0.978 3.214 1.00 0.00 C HETATM 5 C UNL 1 2.524 1.685 2.837 1.00 0.00 C HETATM 6 C UNL 1 1.735 1.174 1.802 1.00 0.00 C HETATM 7 N UNL 1 4.886 1.719 3.287 1.00 0.00 N HETATM 8 C UNL 1 5.982 1.734 4.198 1.00 0.00 C HETATM 9 C UNL 1 6.487 0.614 4.873 1.00 0.00 C HETATM 10 C UNL 1 7.513 0.867 5.806 1.00 0.00 C HETATM 11 C UNL 1 8.223 2.066 5.809 1.00 0.00 C HETATM 12 C UNL 1 8.016 2.930 4.731 1.00 0.00 C HETATM 13 C UNL 1 6.752 2.902 4.152 1.00 0.00 C HETATM 14 S UNL 1 8.126 -0.106 7.091 1.00 0.00 S HETATM 15 C UNL 1 8.836 1.308 7.764 1.00 0.00 C HETATM 16 N UNL 1 9.004 2.306 6.926 1.00 0.00 N HETATM 17 N UNL 1 0.468 1.734 1.492 1.00 0.00 N HETATM 18 C UNL 1 -0.689 1.482 2.418 1.00 0.00 C HETATM 19 C UNL 1 -0.460 0.455 3.522 1.00 0.00 C HETATM 20 C UNL 1 -1.206 2.792 3.015 1.00 0.00 C HETATM 21 C UNL 1 2.920 0.442 -0.335 1.00 0.00 C HETATM 22 S UNL 1 2.257 1.651 -1.372 1.00 0.00 S HETATM 23 C UNL 1 3.838 2.359 -1.265 1.00 0.00 C HETATM 24 C UNL 1 4.754 1.319 -1.294 1.00 0.00 C HETATM 25 N UNL 1 4.190 0.165 -0.693 1.00 0.00 N HETATM 26 C UNL 1 3.959 3.750 -0.790 1.00 0.00 C HETATM 27 C UNL 1 6.177 1.404 -1.640 1.00 0.00 C HETATM 28 O UNL 1 6.681 2.399 -2.200 1.00 0.00 O HETATM 29 N UNL 1 6.895 0.240 -1.450 1.00 0.00 N HETATM 30 C UNL 1 8.243 -0.031 -1.905 1.00 0.00 C HETATM 31 H UNL 1 3.446 -1.647 1.327 1.00 0.00 H HETATM 32 H UNL 1 2.322 2.687 3.227 1.00 0.00 H HETATM 33 H UNL 1 5.347 1.155 2.554 1.00 0.00 H HETATM 34 H UNL 1 6.046 -0.371 4.780 1.00 0.00 H HETATM 35 H UNL 1 8.859 3.293 4.151 1.00 0.00 H HETATM 36 H UNL 1 6.417 3.758 3.575 1.00 0.00 H HETATM 37 H UNL 1 9.149 1.357 8.800 1.00 0.00 H HETATM 38 H UNL 1 0.171 1.463 0.549 1.00 0.00 H HETATM 39 H UNL 1 -1.506 1.087 1.796 1.00 0.00 H HETATM 40 H UNL 1 0.278 0.796 4.254 1.00 0.00 H HETATM 41 H UNL 1 -0.138 -0.508 3.116 1.00 0.00 H HETATM 42 H UNL 1 -1.394 0.279 4.072 1.00 0.00 H HETATM 43 H UNL 1 -0.441 3.289 3.619 1.00 0.00 H HETATM 44 H UNL 1 -2.074 2.606 3.665 1.00 0.00 H HETATM 45 H UNL 1 -1.532 3.485 2.234 1.00 0.00 H HETATM 46 H UNL 1 4.255 4.464 -1.535 1.00 0.00 H HETATM 47 H UNL 1 4.663 3.779 0.055 1.00 0.00 H HETATM 48 H UNL 1 2.997 4.079 -0.350 1.00 0.00 H HETATM 49 H UNL 1 6.378 -0.492 -0.975 1.00 0.00 H HETATM 50 H UNL 1 8.602 0.731 -2.599 1.00 0.00 H HETATM 51 H UNL 1 8.243 -1.005 -2.409 1.00 0.00 H HETATM 52 H UNL 1 8.906 -0.092 -1.037 1.00 0.00 H CONECT 1 2 6 21 CONECT 2 1 3 31 CONECT 3 2 4 CONECT 4 3 5 7 CONECT 5 4 6 32 CONECT 6 5 1 17 CONECT 7 4 8 33 CONECT 8 7 9 13 CONECT 9 8 10 34 CONECT 10 9 11 14 CONECT 11 10 12 16 CONECT 12 11 13 35 CONECT 13 12 8 36 CONECT 14 10 15 CONECT 15 14 16 37 CONECT 16 15 11 CONECT 17 6 18 38 CONECT 18 17 19 20 39 CONECT 19 18 40 41 42 CONECT 20 18 43 44 45 CONECT 21 1 22 25 CONECT 22 21 23 CONECT 23 22 24 26 CONECT 24 23 25 27 CONECT 25 24 21 CONECT 26 23 46 47 48 CONECT 27 24 28 29 CONECT 28 27 CONECT 29 30 27 49 CONECT 30 29 50 51 52 CONECT 31 2 CONECT 32 5 CONECT 33 7 CONECT 34 9 CONECT 35 12 CONECT 36 13 CONECT 37 15 CONECT 38 17 CONECT 39 18 CONECT 40 19 CONECT 41 19 CONECT 42 19 CONECT 43 20 CONECT 44 20 CONECT 45 20 CONECT 46 26 CONECT 47 26 CONECT 48 26 CONECT 49 29 CONECT 50 30 CONECT 51 30 CONECT 52 30 MASTER 0 0 0 0 0 0 0 0 52 0 52 0 END M END $$$$