D0A8EN AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 0.474 0.493 0.752 1.00 0.00 C HETATM 2 C UNL 1 -0.593 2.350 1.520 1.00 0.00 C HETATM 3 N UNL 1 -0.048 2.930 2.936 1.00 0.00 N HETATM 4 C UNL 1 1.283 2.576 2.775 1.00 0.00 C HETATM 5 C UNL 1 1.626 2.446 1.313 1.00 0.00 C HETATM 6 C UNL 1 0.530 1.733 0.542 1.00 0.00 C HETATM 7 C UNL 1 2.351 -0.094 0.052 1.00 0.00 C HETATM 8 C UNL 1 3.929 -0.350 -0.821 1.00 0.00 C HETATM 9 C UNL 1 3.080 1.978 1.054 1.00 0.00 C HETATM 10 C UNL 1 4.632 2.087 1.137 1.00 0.00 C HETATM 11 C UNL 1 5.519 0.011 -1.886 1.00 0.00 C HETATM 12 C UNL 1 6.783 -0.777 -2.564 1.00 0.00 C HETATM 13 C UNL 1 6.517 -2.059 -2.250 1.00 0.00 C HETATM 14 C UNL 1 5.268 -2.356 -1.470 1.00 0.00 C HETATM 15 C UNL 1 4.615 -1.353 -1.153 1.00 0.00 C HETATM 16 C UNL 1 6.472 1.538 1.228 1.00 0.00 C HETATM 17 C UNL 1 7.962 2.189 1.313 1.00 0.00 C HETATM 18 C UNL 1 7.698 3.507 1.315 1.00 0.00 C HETATM 19 C UNL 1 6.286 3.935 1.245 1.00 0.00 C HETATM 20 C UNL 1 5.451 2.984 1.190 1.00 0.00 C HETATM 21 O UNL 1 -0.692 1.146 0.395 1.00 0.00 O HETATM 22 C UNL 1 -0.551 3.296 4.275 1.00 0.00 C HETATM 23 O UNL 1 0.239 3.731 5.131 1.00 0.00 O HETATM 24 C UNL 1 -2.008 3.139 4.712 1.00 0.00 C HETATM 25 C UNL 1 -2.428 3.459 5.953 1.00 0.00 C HETATM 26 N UNL 1 7.339 -3.205 -2.611 1.00 0.00 N1+ HETATM 27 O UNL 1 8.362 -2.941 -3.263 1.00 0.00 O HETATM 28 O UNL 1 7.000 -4.349 -2.268 1.00 0.00 O1- HETATM 29 N UNL 1 8.690 4.572 1.379 1.00 0.00 N1+ HETATM 30 O UNL 1 9.872 4.196 1.438 1.00 0.00 O HETATM 31 O UNL 1 8.330 5.759 1.374 1.00 0.00 O1- HETATM 32 H UNL 1 0.627 -0.607 -0.256 1.00 0.00 H HETATM 33 H UNL 1 -1.832 2.756 1.878 1.00 0.00 H HETATM 34 H UNL 1 -0.922 3.773 1.184 1.00 0.00 H HETATM 35 H UNL 1 1.399 1.624 3.264 1.00 0.00 H HETATM 36 H UNL 1 1.954 3.318 3.110 1.00 0.00 H HETATM 37 H UNL 1 1.357 3.303 0.705 1.00 0.00 H HETATM 38 H UNL 1 2.110 0.095 -0.973 1.00 0.00 H HETATM 39 H UNL 1 2.584 -1.091 0.360 1.00 0.00 H HETATM 40 H UNL 1 3.083 1.972 -0.006 1.00 0.00 H HETATM 41 H UNL 1 3.062 1.092 1.637 1.00 0.00 H HETATM 42 H UNL 1 6.212 0.832 -2.409 1.00 0.00 H HETATM 43 H UNL 1 7.742 -0.546 -3.174 1.00 0.00 H HETATM 44 H UNL 1 4.942 -3.289 -1.145 1.00 0.00 H HETATM 45 H UNL 1 4.209 0.009 -1.099 1.00 0.00 H HETATM 46 H UNL 1 7.246 0.632 1.258 1.00 0.00 H HETATM 47 H UNL 1 9.070 1.850 1.368 1.00 0.00 H HETATM 48 H UNL 1 5.904 4.895 1.236 1.00 0.00 H HETATM 49 H UNL 1 4.961 1.679 1.151 1.00 0.00 H HETATM 50 H UNL 1 -2.742 2.769 4.021 1.00 0.00 H HETATM 51 H UNL 1 -1.737 3.841 6.686 1.00 0.00 H HETATM 52 H UNL 1 -3.456 3.346 6.266 1.00 0.00 H CONECT 1 2 6 7 32 CONECT 2 1 3 33 34 CONECT 3 2 4 22 CONECT 4 3 5 35 36 CONECT 5 4 6 9 37 CONECT 6 5 1 21 CONECT 7 1 8 38 39 CONECT 8 7 11 15 CONECT 9 5 10 40 41 CONECT 10 9 16 20 CONECT 11 8 12 42 CONECT 12 11 13 43 CONECT 13 12 14 26 CONECT 14 13 15 44 CONECT 15 14 8 45 CONECT 16 10 17 46 CONECT 17 16 18 47 CONECT 18 17 19 29 CONECT 19 18 20 48 CONECT 20 19 10 49 CONECT 21 6 CONECT 22 3 23 24 CONECT 23 22 CONECT 24 22 25 50 CONECT 25 24 51 52 CONECT 26 13 27 28 CONECT 27 26 CONECT 28 26 CONECT 29 18 30 31 CONECT 30 29 CONECT 31 29 CONECT 32 1 CONECT 33 2 CONECT 34 2 CONECT 35 4 CONECT 36 4 CONECT 37 5 CONECT 38 7 CONECT 39 7 CONECT 40 9 CONECT 41 9 CONECT 42 11 CONECT 43 12 CONECT 44 14 CONECT 45 15 CONECT 46 16 CONECT 47 17 CONECT 48 19 CONECT 49 20 CONECT 50 24 CONECT 51 25 CONECT 52 25 MASTER 0 0 0 0 0 0 0 0 52 0 52 0 END M END $$$$