D0K7XA AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 0.595 1.330 -1.488 1.00 0.00 C HETATM 2 N UNL 1 0.384 2.783 -1.419 1.00 0.00 N HETATM 3 N UNL 1 1.596 3.164 -0.859 1.00 0.00 N HETATM 4 C UNL 1 1.673 2.247 0.163 1.00 0.00 C HETATM 5 C UNL 1 0.621 1.268 -0.068 1.00 0.00 C HETATM 6 C UNL 1 -0.791 3.551 -0.815 1.00 0.00 C HETATM 7 C UNL 1 -0.472 4.759 -0.166 1.00 0.00 C HETATM 8 C UNL 1 -1.061 5.100 1.070 1.00 0.00 C HETATM 9 C UNL 1 -2.041 4.270 1.599 1.00 0.00 C HETATM 10 C UNL 1 -2.574 3.263 0.803 1.00 0.00 C HETATM 11 C UNL 1 -2.006 2.961 -0.458 1.00 0.00 C HETATM 12 C UNL 1 3.292 0.495 2.452 1.00 0.00 C HETATM 13 CL UNL 1 -2.946 2.045 -1.551 1.00 0.00 Cl HETATM 14 C UNL 1 -0.245 0.360 0.715 1.00 0.00 C HETATM 15 CL UNL 1 -2.572 4.506 3.221 1.00 0.00 Cl HETATM 16 N UNL 1 3.952 0.214 3.641 1.00 0.00 N HETATM 17 C UNL 1 1.636 0.474 -2.233 1.00 0.00 C HETATM 18 C UNL 1 2.294 -0.596 -1.622 1.00 0.00 C HETATM 19 C UNL 1 3.289 -1.265 -2.401 1.00 0.00 C HETATM 20 C UNL 1 3.279 -0.892 -3.734 1.00 0.00 C HETATM 21 S UNL 1 2.251 0.569 -3.858 1.00 0.00 S HETATM 22 C UNL 1 3.906 -1.562 -4.881 1.00 0.00 C HETATM 23 C UNL 1 4.654 -2.691 -4.757 1.00 0.00 C HETATM 24 C UNL 1 5.227 -3.687 -5.773 1.00 0.00 C HETATM 25 C UNL 1 4.634 -3.902 -7.176 1.00 0.00 C HETATM 26 C UNL 1 5.091 -2.914 -8.235 1.00 0.00 C HETATM 27 O UNL 1 3.098 -0.342 1.584 1.00 0.00 O HETATM 28 C UNL 1 4.649 -1.060 3.838 1.00 0.00 C HETATM 29 C UNL 1 3.711 -2.283 3.854 1.00 0.00 C HETATM 30 C UNL 1 4.458 -3.587 4.154 1.00 0.00 C HETATM 31 C UNL 1 5.324 -3.484 5.406 1.00 0.00 C HETATM 32 C UNL 1 6.274 -2.297 5.308 1.00 0.00 C HETATM 33 C UNL 1 5.478 -1.008 5.131 1.00 0.00 C HETATM 34 C UNL 1 2.911 2.362 1.000 1.00 0.00 C HETATM 35 N UNL 1 2.968 1.815 2.331 1.00 0.00 N HETATM 36 H UNL 1 0.362 5.373 -0.518 1.00 0.00 H HETATM 37 H UNL 1 -0.690 5.955 1.627 1.00 0.00 H HETATM 38 H UNL 1 -3.424 2.689 1.186 1.00 0.00 H HETATM 39 H UNL 1 -1.279 0.516 0.369 1.00 0.00 H HETATM 40 H UNL 1 -0.256 0.576 1.782 1.00 0.00 H HETATM 41 H UNL 1 -0.054 -0.696 0.519 1.00 0.00 H HETATM 42 H UNL 1 4.394 1.012 4.072 1.00 0.00 H HETATM 43 H UNL 1 2.093 -0.906 -0.605 1.00 0.00 H HETATM 44 H UNL 1 3.881 -2.082 -2.005 1.00 0.00 H HETATM 45 H UNL 1 3.684 -1.183 -5.873 1.00 0.00 H HETATM 46 H UNL 1 4.903 -3.033 -3.751 1.00 0.00 H HETATM 47 H UNL 1 5.111 -4.671 -5.287 1.00 0.00 H HETATM 48 H UNL 1 6.314 -3.552 -5.851 1.00 0.00 H HETATM 49 H UNL 1 3.541 -3.938 -7.135 1.00 0.00 H HETATM 50 H UNL 1 4.956 -4.897 -7.524 1.00 0.00 H HETATM 51 H UNL 1 4.745 -1.903 -8.017 1.00 0.00 H HETATM 52 H UNL 1 4.685 -3.207 -9.213 1.00 0.00 H HETATM 53 H UNL 1 6.182 -2.906 -8.329 1.00 0.00 H HETATM 54 H UNL 1 5.340 -1.172 2.993 1.00 0.00 H HETATM 55 H UNL 1 3.205 -2.394 2.889 1.00 0.00 H HETATM 56 H UNL 1 2.923 -2.141 4.603 1.00 0.00 H HETATM 57 H UNL 1 5.097 -3.843 3.299 1.00 0.00 H HETATM 58 H UNL 1 3.738 -4.404 4.269 1.00 0.00 H HETATM 59 H UNL 1 5.896 -4.409 5.543 1.00 0.00 H HETATM 60 H UNL 1 4.684 -3.368 6.289 1.00 0.00 H HETATM 61 H UNL 1 6.952 -2.434 4.455 1.00 0.00 H HETATM 62 H UNL 1 6.898 -2.236 6.206 1.00 0.00 H HETATM 63 H UNL 1 6.164 -0.152 5.118 1.00 0.00 H HETATM 64 H UNL 1 4.815 -0.863 5.994 1.00 0.00 H HETATM 65 H UNL 1 3.152 3.427 1.113 1.00 0.00 H HETATM 66 H UNL 1 3.732 1.926 0.413 1.00 0.00 H HETATM 67 H UNL 1 3.478 2.415 2.963 1.00 0.00 H CONECT 1 2 5 17 CONECT 2 1 3 6 CONECT 3 2 4 CONECT 4 3 5 34 CONECT 5 4 1 14 CONECT 6 2 7 11 CONECT 7 6 8 36 CONECT 8 7 9 37 CONECT 9 8 10 15 CONECT 10 9 11 38 CONECT 11 10 6 13 CONECT 12 16 27 35 CONECT 13 11 CONECT 14 5 39 40 41 CONECT 15 9 CONECT 16 12 28 42 CONECT 17 1 18 21 CONECT 18 17 19 43 CONECT 19 18 20 44 CONECT 20 19 21 22 CONECT 21 20 17 CONECT 22 20 23 45 CONECT 23 22 24 46 CONECT 24 23 25 47 48 CONECT 25 24 26 49 50 CONECT 26 25 51 52 53 CONECT 27 12 CONECT 28 16 29 33 54 CONECT 29 28 30 55 56 CONECT 30 29 31 57 58 CONECT 31 30 32 59 60 CONECT 32 31 33 61 62 CONECT 33 32 28 63 64 CONECT 34 4 35 65 66 CONECT 35 34 12 67 CONECT 36 7 CONECT 37 8 CONECT 38 10 CONECT 39 14 CONECT 40 14 CONECT 41 14 CONECT 42 16 CONECT 43 18 CONECT 44 19 CONECT 45 22 CONECT 46 23 CONECT 47 24 CONECT 48 24 CONECT 49 25 CONECT 50 25 CONECT 51 26 CONECT 52 26 CONECT 53 26 CONECT 54 28 CONECT 55 29 CONECT 56 29 CONECT 57 30 CONECT 58 30 CONECT 59 31 CONECT 60 31 CONECT 61 32 CONECT 62 32 CONECT 63 33 CONECT 64 33 CONECT 65 34 CONECT 66 34 CONECT 67 35 MASTER 0 0 0 0 0 0 0 0 67 0 67 0 END M END $$$$