D06XTA AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.327 0.997 1.357 1.00 0.00 C HETATM 2 C UNL 1 0.624 1.356 -0.037 1.00 0.00 C HETATM 3 N UNL 1 1.300 1.008 -1.209 1.00 0.00 N HETATM 4 N UNL 1 0.627 1.102 -2.482 1.00 0.00 N HETATM 5 C UNL 1 1.098 0.512 -3.619 1.00 0.00 C HETATM 6 S UNL 1 -0.136 0.319 -4.851 1.00 0.00 S HETATM 7 C UNL 1 0.734 -0.247 -6.361 1.00 0.00 C HETATM 8 C UNL 1 1.223 -1.702 -6.397 1.00 0.00 C HETATM 9 N UNL 1 1.922 -2.140 -5.290 1.00 0.00 N HETATM 10 C UNL 1 1.985 -3.483 -4.840 1.00 0.00 C HETATM 11 C UNL 1 0.920 1.772 2.715 1.00 0.00 C HETATM 12 C UNL 1 1.149 3.259 2.699 1.00 0.00 C HETATM 13 C UNL 1 1.634 4.347 3.538 1.00 0.00 C HETATM 14 C UNL 1 2.098 5.275 2.587 1.00 0.00 C HETATM 15 N UNL 1 1.713 4.770 1.373 1.00 0.00 N HETATM 16 C UNL 1 0.611 4.009 1.667 1.00 0.00 C HETATM 17 C UNL 1 1.847 4.734 4.886 1.00 0.00 C HETATM 18 C UNL 1 2.081 6.115 5.128 1.00 0.00 C HETATM 19 C UNL 1 2.395 6.981 4.088 1.00 0.00 C HETATM 20 C UNL 1 2.806 6.426 2.893 1.00 0.00 C HETATM 21 O UNL 1 -0.545 1.729 -0.102 1.00 0.00 O HETATM 22 O UNL 1 2.237 0.097 -3.777 1.00 0.00 O HETATM 23 O UNL 1 1.077 -2.384 -7.414 1.00 0.00 O HETATM 24 C UNL 1 2.815 -3.752 -3.724 1.00 0.00 C HETATM 25 C UNL 1 2.276 -4.416 -2.622 1.00 0.00 C HETATM 26 C UNL 1 1.088 -5.100 -2.792 1.00 0.00 C HETATM 27 C UNL 1 0.330 -4.926 -3.948 1.00 0.00 C HETATM 28 C UNL 1 0.846 -4.249 -5.043 1.00 0.00 C HETATM 29 C UNL 1 5.235 -4.255 -2.878 1.00 0.00 C HETATM 30 C UNL 1 4.251 -4.192 -4.044 1.00 0.00 C HETATM 31 N UNL 1 2.732 0.696 1.219 1.00 0.00 N HETATM 32 O UNL 1 4.895 1.177 0.992 1.00 0.00 O HETATM 33 C UNL 1 6.044 2.066 0.769 1.00 0.00 C HETATM 34 C UNL 1 6.078 3.078 1.940 1.00 0.00 C HETATM 35 C UNL 1 7.304 1.197 0.865 1.00 0.00 C HETATM 36 C UNL 1 6.058 2.756 -0.618 1.00 0.00 C HETATM 37 C UNL 1 3.666 1.641 0.880 1.00 0.00 C HETATM 38 O UNL 1 3.366 2.771 0.475 1.00 0.00 O HETATM 39 H UNL 1 0.914 -0.005 1.517 1.00 0.00 H HETATM 40 H UNL 1 2.323 0.929 -1.251 1.00 0.00 H HETATM 41 H UNL 1 -0.350 1.399 -2.402 1.00 0.00 H HETATM 42 H UNL 1 1.536 0.428 -6.667 1.00 0.00 H HETATM 43 H UNL 1 -0.034 -0.200 -7.151 1.00 0.00 H HETATM 44 H UNL 1 2.216 -1.448 -4.604 1.00 0.00 H HETATM 45 H UNL 1 -0.151 1.604 2.891 1.00 0.00 H HETATM 46 H UNL 1 1.469 1.318 3.550 1.00 0.00 H HETATM 47 H UNL 1 2.369 4.506 0.647 1.00 0.00 H HETATM 48 H UNL 1 -0.140 3.789 0.928 1.00 0.00 H HETATM 49 H UNL 1 1.610 4.102 5.733 1.00 0.00 H HETATM 50 H UNL 1 1.993 6.539 6.129 1.00 0.00 H HETATM 51 H UNL 1 2.308 8.061 4.193 1.00 0.00 H HETATM 52 H UNL 1 3.466 6.913 2.191 1.00 0.00 H HETATM 53 H UNL 1 2.855 -4.570 -1.718 1.00 0.00 H HETATM 54 H UNL 1 0.817 -5.868 -2.074 1.00 0.00 H HETATM 55 H UNL 1 -0.714 -5.217 -3.955 1.00 0.00 H HETATM 56 H UNL 1 0.261 -4.179 -5.955 1.00 0.00 H HETATM 57 H UNL 1 6.209 -4.593 -3.246 1.00 0.00 H HETATM 58 H UNL 1 4.927 -4.984 -2.117 1.00 0.00 H HETATM 59 H UNL 1 5.348 -3.284 -2.399 1.00 0.00 H HETATM 60 H UNL 1 4.664 -3.582 -4.851 1.00 0.00 H HETATM 61 H UNL 1 4.152 -5.220 -4.433 1.00 0.00 H HETATM 62 H UNL 1 3.131 -0.147 1.599 1.00 0.00 H HETATM 63 H UNL 1 6.130 2.548 2.910 1.00 0.00 H HETATM 64 H UNL 1 5.177 3.689 1.983 1.00 0.00 H HETATM 65 H UNL 1 6.941 3.742 1.872 1.00 0.00 H HETATM 66 H UNL 1 7.341 0.624 1.805 1.00 0.00 H HETATM 67 H UNL 1 8.216 1.805 0.800 1.00 0.00 H HETATM 68 H UNL 1 7.328 0.458 0.059 1.00 0.00 H HETATM 69 H UNL 1 5.179 3.410 -0.748 1.00 0.00 H HETATM 70 H UNL 1 5.941 1.958 -1.404 1.00 0.00 H HETATM 71 H UNL 1 6.950 3.321 -0.803 1.00 0.00 H CONECT 1 31 11 2 39 CONECT 2 3 21 1 CONECT 3 2 4 40 CONECT 4 3 5 41 CONECT 5 4 6 22 CONECT 6 5 7 CONECT 7 6 8 42 43 CONECT 8 7 9 23 CONECT 9 8 10 44 CONECT 10 9 24 28 CONECT 11 12 1 45 46 CONECT 12 11 13 16 CONECT 13 12 14 17 CONECT 14 13 15 20 CONECT 15 14 16 47 CONECT 16 15 12 48 CONECT 17 13 18 49 CONECT 18 17 19 50 CONECT 19 18 20 51 CONECT 20 19 14 52 CONECT 21 2 CONECT 22 5 CONECT 23 8 CONECT 24 10 25 30 CONECT 25 24 26 53 CONECT 26 25 27 54 CONECT 27 26 28 55 CONECT 28 27 10 56 CONECT 29 30 57 58 59 CONECT 30 24 29 60 61 CONECT 31 1 37 62 CONECT 32 33 37 CONECT 33 32 34 35 36 CONECT 34 33 63 64 65 CONECT 35 33 66 67 68 CONECT 36 33 69 70 71 CONECT 37 31 38 32 CONECT 38 37 CONECT 39 1 CONECT 40 3 CONECT 41 4 CONECT 42 7 CONECT 43 7 CONECT 44 9 CONECT 45 11 CONECT 46 11 CONECT 47 15 CONECT 48 16 CONECT 49 17 CONECT 50 18 CONECT 51 19 CONECT 52 20 CONECT 53 25 CONECT 54 26 CONECT 55 27 CONECT 56 28 CONECT 57 29 CONECT 58 29 CONECT 59 29 CONECT 60 30 CONECT 61 30 CONECT 62 31 CONECT 63 34 CONECT 64 34 CONECT 65 34 CONECT 66 35 CONECT 67 35 CONECT 68 35 CONECT 69 36 CONECT 70 36 CONECT 71 36 MASTER 0 0 0 0 0 0 0 0 71 0 71 0 END M END $$$$