D0W3BE AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 0.837 -0.431 0.730 1.00 0.00 C HETATM 2 C UNL 1 -0.650 -0.069 1.056 1.00 0.00 C HETATM 3 N UNL 1 -0.889 -0.623 2.306 1.00 0.00 N HETATM 4 C UNL 1 -2.111 -0.790 2.795 1.00 0.00 C HETATM 5 N UNL 1 -3.244 -0.318 2.272 1.00 0.00 N HETATM 6 C UNL 1 -3.047 0.295 1.107 1.00 0.00 C HETATM 7 C UNL 1 -1.852 0.470 0.383 1.00 0.00 C HETATM 8 N UNL 1 -4.126 0.838 0.448 1.00 0.00 N HETATM 9 C UNL 1 -3.817 1.377 -0.779 1.00 0.00 C HETATM 10 C UNL 1 -2.389 1.163 -0.840 1.00 0.00 C HETATM 11 C UNL 1 1.531 -1.275 1.703 1.00 0.00 C HETATM 12 C UNL 1 2.118 -2.498 1.303 1.00 0.00 C HETATM 13 C UNL 1 1.913 -2.772 -0.027 1.00 0.00 C HETATM 14 C UNL 1 2.349 -1.608 -0.691 1.00 0.00 C HETATM 15 C UNL 1 1.493 -0.478 -0.507 1.00 0.00 C HETATM 16 C UNL 1 -4.932 1.994 -1.703 1.00 0.00 C HETATM 17 C UNL 1 3.877 -1.320 -0.660 1.00 0.00 C HETATM 18 C UNL 1 -6.277 2.351 -1.340 1.00 0.00 C HETATM 19 C UNL 1 -7.276 2.888 -2.284 1.00 0.00 C HETATM 20 C UNL 1 -6.951 3.168 -3.624 1.00 0.00 C HETATM 21 C UNL 1 -5.629 2.840 -3.959 1.00 0.00 C HETATM 22 C UNL 1 -4.707 2.184 -3.068 1.00 0.00 C HETATM 23 C UNL 1 -7.899 3.453 -4.832 1.00 0.00 C HETATM 24 N UNL 1 -9.007 4.321 -4.783 1.00 0.00 N HETATM 25 O UNL 1 -7.657 2.849 -5.882 1.00 0.00 O HETATM 26 C UNL 1 -10.084 4.274 -5.820 1.00 0.00 C HETATM 27 C UNL 1 -11.389 4.962 -5.323 1.00 0.00 C HETATM 28 O UNL 1 -11.167 6.206 -4.626 1.00 0.00 O HETATM 29 C UNL 1 -10.118 6.098 -3.651 1.00 0.00 C HETATM 30 C UNL 1 -8.827 5.695 -4.347 1.00 0.00 C HETATM 31 C UNL 1 0.395 -3.179 -0.278 1.00 0.00 C HETATM 32 N UNL 1 -0.134 -4.526 -0.361 1.00 0.00 N HETATM 33 C UNL 1 -1.530 -4.576 -0.215 1.00 0.00 C HETATM 34 C UNL 1 -2.192 -5.862 0.055 1.00 0.00 C HETATM 35 O UNL 1 -2.209 -3.532 -0.282 1.00 0.00 O HETATM 36 N UNL 1 -1.822 -7.045 -0.406 1.00 0.00 N HETATM 37 C UNL 1 -2.773 -8.007 -0.027 1.00 0.00 C HETATM 38 C UNL 1 -3.799 -7.586 0.810 1.00 0.00 C HETATM 39 S UNL 1 -3.621 -5.881 1.019 1.00 0.00 S HETATM 40 C UNL 1 -4.902 -8.381 1.539 1.00 0.00 C HETATM 41 C UNL 1 -4.493 -8.571 3.016 1.00 0.00 C HETATM 42 C UNL 1 -6.278 -7.681 1.486 1.00 0.00 C HETATM 43 C UNL 1 -5.103 -9.784 0.922 1.00 0.00 C HETATM 44 H UNL 1 -2.191 -1.378 3.706 1.00 0.00 H HETATM 45 H UNL 1 -5.049 0.780 0.843 1.00 0.00 H HETATM 46 H UNL 1 -1.773 1.488 -1.672 1.00 0.00 H HETATM 47 H UNL 1 1.486 -1.064 2.767 1.00 0.00 H HETATM 48 H UNL 1 2.507 -3.235 1.997 1.00 0.00 H HETATM 49 H UNL 1 1.795 0.483 -0.940 1.00 0.00 H HETATM 50 H UNL 1 4.458 -2.247 -0.543 1.00 0.00 H HETATM 51 H UNL 1 4.124 -0.700 0.217 1.00 0.00 H HETATM 52 H UNL 1 4.227 -0.803 -1.554 1.00 0.00 H HETATM 53 H UNL 1 -6.622 2.180 -0.315 1.00 0.00 H HETATM 54 H UNL 1 -8.310 2.991 -1.949 1.00 0.00 H HETATM 55 H UNL 1 -5.304 3.022 -4.984 1.00 0.00 H HETATM 56 H UNL 1 -3.842 1.716 -3.528 1.00 0.00 H HETATM 57 H UNL 1 -10.294 3.246 -6.132 1.00 0.00 H HETATM 58 H UNL 1 -9.729 4.813 -6.712 1.00 0.00 H HETATM 59 H UNL 1 -11.949 4.297 -4.655 1.00 0.00 H HETATM 60 H UNL 1 -12.052 5.194 -6.167 1.00 0.00 H HETATM 61 H UNL 1 -10.400 5.349 -2.898 1.00 0.00 H HETATM 62 H UNL 1 -10.006 7.065 -3.158 1.00 0.00 H HETATM 63 H UNL 1 -7.930 5.810 -3.742 1.00 0.00 H HETATM 64 H UNL 1 -8.697 6.310 -5.255 1.00 0.00 H HETATM 65 H UNL 1 0.007 -2.626 -1.136 1.00 0.00 H HETATM 66 H UNL 1 -0.142 -2.804 0.601 1.00 0.00 H HETATM 67 H UNL 1 0.425 -5.354 -0.191 1.00 0.00 H HETATM 68 H UNL 1 -2.641 -9.027 -0.376 1.00 0.00 H HETATM 69 H UNL 1 -4.476 -7.618 3.557 1.00 0.00 H HETATM 70 H UNL 1 -3.493 -9.014 3.099 1.00 0.00 H HETATM 71 H UNL 1 -5.192 -9.232 3.544 1.00 0.00 H HETATM 72 H UNL 1 -6.267 -6.697 1.967 1.00 0.00 H HETATM 73 H UNL 1 -7.041 -8.276 2.007 1.00 0.00 H HETATM 74 H UNL 1 -6.616 -7.548 0.452 1.00 0.00 H HETATM 75 H UNL 1 -4.203 -10.401 1.002 1.00 0.00 H HETATM 76 H UNL 1 -5.381 -9.719 -0.136 1.00 0.00 H HETATM 77 H UNL 1 -5.909 -10.325 1.437 1.00 0.00 H CONECT 1 2 11 15 CONECT 2 1 3 7 CONECT 3 2 4 CONECT 4 3 5 44 CONECT 5 4 6 CONECT 6 5 7 8 CONECT 7 6 2 10 CONECT 8 6 9 45 CONECT 9 8 10 16 CONECT 10 9 7 46 CONECT 11 1 12 47 CONECT 12 11 13 48 CONECT 13 12 14 31 CONECT 14 13 15 17 CONECT 15 14 1 49 CONECT 16 9 18 22 CONECT 17 14 50 51 52 CONECT 18 16 19 53 CONECT 19 18 20 54 CONECT 20 19 21 23 CONECT 21 20 22 55 CONECT 22 21 16 56 CONECT 23 20 24 25 CONECT 24 23 26 30 CONECT 25 23 CONECT 26 24 27 57 58 CONECT 27 26 28 59 60 CONECT 28 27 29 CONECT 29 28 30 61 62 CONECT 30 29 24 63 64 CONECT 31 13 32 65 66 CONECT 32 31 33 67 CONECT 33 32 34 35 CONECT 34 33 36 39 CONECT 35 33 CONECT 36 34 37 CONECT 37 36 38 68 CONECT 38 37 39 40 CONECT 39 38 34 CONECT 40 38 41 42 43 CONECT 41 40 69 70 71 CONECT 42 40 72 73 74 CONECT 43 40 75 76 77 CONECT 44 4 CONECT 45 8 CONECT 46 10 CONECT 47 11 CONECT 48 12 CONECT 49 15 CONECT 50 17 CONECT 51 17 CONECT 52 17 CONECT 53 18 CONECT 54 19 CONECT 55 21 CONECT 56 22 CONECT 57 26 CONECT 58 26 CONECT 59 27 CONECT 60 27 CONECT 61 29 CONECT 62 29 CONECT 63 30 CONECT 64 30 CONECT 65 31 CONECT 66 31 CONECT 67 32 CONECT 68 37 CONECT 69 41 CONECT 70 41 CONECT 71 41 CONECT 72 42 CONECT 73 42 CONECT 74 42 CONECT 75 43 CONECT 76 43 CONECT 77 43 MASTER 0 0 0 0 0 0 0 0 77 0 77 0 END M END $$$$