D0E2TY AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 0.630 0.577 2.655 1.00 0.00 C HETATM 2 C UNL 1 0.602 1.040 3.985 1.00 0.00 C HETATM 3 C UNL 1 -0.494 1.768 4.534 1.00 0.00 C HETATM 4 C UNL 1 -1.503 2.136 3.629 1.00 0.00 C HETATM 5 C UNL 1 -1.396 1.738 2.279 1.00 0.00 C HETATM 6 C UNL 1 -0.461 0.805 1.830 1.00 0.00 C HETATM 7 N UNL 1 -2.435 3.221 3.549 1.00 0.00 N HETATM 8 C UNL 1 -1.917 3.811 2.295 1.00 0.00 C HETATM 9 C UNL 1 -2.290 2.597 1.593 1.00 0.00 C HETATM 10 C UNL 1 -3.570 1.967 1.106 1.00 0.00 C HETATM 11 C UNL 1 -3.812 3.432 3.971 1.00 0.00 C HETATM 12 O UNL 1 -4.263 4.528 3.621 1.00 0.00 O HETATM 13 C UNL 1 -4.843 2.523 4.620 1.00 0.00 C HETATM 14 C UNL 1 -4.590 1.510 5.545 1.00 0.00 C HETATM 15 C UNL 1 -5.658 0.763 6.108 1.00 0.00 C HETATM 16 C UNL 1 -6.986 0.994 5.733 1.00 0.00 C HETATM 17 C UNL 1 -7.272 2.002 4.827 1.00 0.00 C HETATM 18 C UNL 1 -6.213 2.762 4.294 1.00 0.00 C HETATM 19 CL UNL 1 -8.264 0.050 6.401 1.00 0.00 Cl HETATM 20 C UNL 1 -0.342 4.416 2.325 1.00 0.00 C HETATM 21 C UNL 1 0.019 5.910 2.343 1.00 0.00 C HETATM 22 C UNL 1 1.229 6.814 1.867 1.00 0.00 C HETATM 23 N UNL 1 0.900 8.155 2.234 1.00 0.00 N HETATM 24 O UNL 1 2.283 6.471 1.377 1.00 0.00 O HETATM 25 S UNL 1 1.744 9.511 2.666 1.00 0.00 S HETATM 26 C UNL 1 2.586 10.002 1.161 1.00 0.00 C HETATM 27 O UNL 1 0.728 10.501 2.907 1.00 0.00 O HETATM 28 O UNL 1 2.742 9.191 3.679 1.00 0.00 O HETATM 29 O UNL 1 1.803 0.010 2.216 1.00 0.00 O HETATM 30 C UNL 1 1.919 -0.237 0.808 1.00 0.00 C HETATM 31 H UNL 1 1.496 0.897 4.594 1.00 0.00 H HETATM 32 H UNL 1 -0.412 2.206 5.525 1.00 0.00 H HETATM 33 H UNL 1 -0.487 0.514 0.789 1.00 0.00 H HETATM 34 H UNL 1 -4.177 1.615 1.950 1.00 0.00 H HETATM 35 H UNL 1 -3.330 1.056 0.538 1.00 0.00 H HETATM 36 H UNL 1 -4.171 2.625 0.485 1.00 0.00 H HETATM 37 H UNL 1 -3.582 1.301 5.885 1.00 0.00 H HETATM 38 H UNL 1 -5.454 0.002 6.861 1.00 0.00 H HETATM 39 H UNL 1 -8.301 2.214 4.541 1.00 0.00 H HETATM 40 H UNL 1 -6.484 3.569 3.611 1.00 0.00 H HETATM 41 H UNL 1 -0.072 4.133 3.350 1.00 0.00 H HETATM 42 H UNL 1 0.264 3.822 1.637 1.00 0.00 H HETATM 43 H UNL 1 0.320 6.007 3.399 1.00 0.00 H HETATM 44 H UNL 1 -0.886 6.496 2.161 1.00 0.00 H HETATM 45 H UNL 1 -0.054 8.307 2.629 1.00 0.00 H HETATM 46 H UNL 1 1.965 9.736 0.305 1.00 0.00 H HETATM 47 H UNL 1 3.560 9.516 1.121 1.00 0.00 H HETATM 48 H UNL 1 2.716 11.089 1.183 1.00 0.00 H HETATM 49 H UNL 1 2.979 -0.356 0.559 1.00 0.00 H HETATM 50 H UNL 1 1.552 0.591 0.187 1.00 0.00 H HETATM 51 H UNL 1 1.403 -1.168 0.548 1.00 0.00 H CONECT 1 2 6 29 CONECT 2 1 3 31 CONECT 3 2 4 32 CONECT 4 3 5 7 CONECT 5 4 6 9 CONECT 6 5 1 33 CONECT 7 4 8 11 CONECT 8 7 9 20 CONECT 9 8 5 10 CONECT 10 9 34 35 36 CONECT 11 7 12 13 CONECT 12 11 CONECT 13 11 14 18 CONECT 14 13 15 37 CONECT 15 14 16 38 CONECT 16 15 17 19 CONECT 17 16 18 39 CONECT 18 17 13 40 CONECT 19 16 CONECT 20 8 21 41 42 CONECT 21 20 22 43 44 CONECT 22 21 23 24 CONECT 23 22 25 45 CONECT 24 22 CONECT 25 23 26 27 28 CONECT 26 25 46 47 48 CONECT 27 25 CONECT 28 25 CONECT 29 1 30 CONECT 30 29 49 50 51 CONECT 31 2 CONECT 32 3 CONECT 33 6 CONECT 34 10 CONECT 35 10 CONECT 36 10 CONECT 37 14 CONECT 38 15 CONECT 39 17 CONECT 40 18 CONECT 41 20 CONECT 42 20 CONECT 43 21 CONECT 44 21 CONECT 45 23 CONECT 46 26 CONECT 47 26 CONECT 48 26 CONECT 49 30 CONECT 50 30 CONECT 51 30 MASTER 0 0 0 0 0 0 0 0 51 0 51 0 END M END $$$$