D0DI1R AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 2.657 5.050 4.285 1.00 0.00 C HETATM 2 C UNL 1 1.313 5.243 3.923 1.00 0.00 C HETATM 3 C UNL 1 0.838 4.194 3.047 1.00 0.00 C HETATM 4 C UNL 1 1.638 3.119 2.488 1.00 0.00 C HETATM 5 C UNL 1 2.981 2.987 2.863 1.00 0.00 C HETATM 6 C UNL 1 3.495 3.932 3.788 1.00 0.00 C HETATM 7 N UNL 1 1.297 2.093 1.570 1.00 0.00 N HETATM 8 C UNL 1 2.408 1.395 1.399 1.00 0.00 C HETATM 9 N UNL 1 3.404 1.855 2.162 1.00 0.00 N HETATM 10 N UNL 1 0.309 6.308 4.290 1.00 0.00 N HETATM 11 C UNL 1 -0.082 7.557 4.961 1.00 0.00 C HETATM 12 C UNL 1 0.753 8.556 5.698 1.00 0.00 C HETATM 13 O UNL 1 -1.286 7.812 4.809 1.00 0.00 O HETATM 14 N UNL 1 0.487 9.836 6.465 1.00 0.00 N HETATM 15 C UNL 1 1.792 10.458 6.649 1.00 0.00 C HETATM 16 C UNL 1 2.761 9.520 6.251 1.00 0.00 C HETATM 17 C UNL 1 2.117 8.438 5.656 1.00 0.00 C HETATM 18 C UNL 1 2.277 11.736 7.073 1.00 0.00 C HETATM 19 C UNL 1 3.687 11.963 7.168 1.00 0.00 C HETATM 20 C UNL 1 4.598 10.974 6.835 1.00 0.00 C HETATM 21 C UNL 1 4.147 9.768 6.350 1.00 0.00 C HETATM 22 F UNL 1 5.921 11.185 6.931 1.00 0.00 F HETATM 23 C UNL 1 -0.862 10.640 6.609 1.00 0.00 C HETATM 24 C UNL 1 4.171 -0.064 0.939 1.00 0.00 C HETATM 25 C UNL 1 4.583 1.024 1.987 1.00 0.00 C HETATM 26 C UNL 1 -1.793 10.855 7.874 1.00 0.00 C HETATM 27 C UNL 1 -3.109 11.423 7.725 1.00 0.00 C HETATM 28 C UNL 1 -4.042 11.501 8.796 1.00 0.00 C HETATM 29 C UNL 1 -3.775 10.903 9.999 1.00 0.00 C HETATM 30 C UNL 1 -2.516 10.328 10.124 1.00 0.00 C HETATM 31 C UNL 1 -1.459 10.635 9.212 1.00 0.00 C HETATM 32 F UNL 1 -5.274 12.015 8.591 1.00 0.00 F HETATM 33 C UNL 1 2.734 0.290 0.589 1.00 0.00 C HETATM 34 O UNL 1 2.049 -0.310 -0.228 1.00 0.00 O HETATM 35 H UNL 1 3.154 5.714 4.984 1.00 0.00 H HETATM 36 H UNL 1 -0.204 4.157 2.771 1.00 0.00 H HETATM 37 H UNL 1 4.525 3.841 4.140 1.00 0.00 H HETATM 38 H UNL 1 -0.561 6.056 3.828 1.00 0.00 H HETATM 39 H UNL 1 2.635 7.668 5.106 1.00 0.00 H HETATM 40 H UNL 1 1.618 12.575 7.294 1.00 0.00 H HETATM 41 H UNL 1 4.099 12.922 7.481 1.00 0.00 H HETATM 42 H UNL 1 4.855 9.020 6.010 1.00 0.00 H HETATM 43 H UNL 1 -1.510 10.152 5.881 1.00 0.00 H HETATM 44 H UNL 1 -0.613 11.647 6.242 1.00 0.00 H HETATM 45 H UNL 1 4.200 -1.077 1.360 1.00 0.00 H HETATM 46 H UNL 1 4.811 -0.049 0.048 1.00 0.00 H HETATM 47 H UNL 1 4.840 0.542 2.934 1.00 0.00 H HETATM 48 H UNL 1 5.423 1.612 1.611 1.00 0.00 H HETATM 49 H UNL 1 -3.469 11.784 6.764 1.00 0.00 H HETATM 50 H UNL 1 -4.565 10.750 10.736 1.00 0.00 H HETATM 51 H UNL 1 -2.479 9.387 10.676 1.00 0.00 H HETATM 52 H UNL 1 -0.950 11.557 9.616 1.00 0.00 H CONECT 1 2 6 35 CONECT 2 1 3 10 CONECT 3 2 4 36 CONECT 4 3 5 7 CONECT 5 4 6 9 CONECT 6 5 1 37 CONECT 7 4 8 CONECT 8 7 9 33 CONECT 9 8 5 25 CONECT 10 2 11 38 CONECT 11 10 12 13 CONECT 12 11 14 17 CONECT 13 11 CONECT 14 12 15 23 CONECT 15 14 16 18 CONECT 16 15 17 21 CONECT 17 16 12 39 CONECT 18 15 19 40 CONECT 19 18 20 41 CONECT 20 19 21 22 CONECT 21 20 16 42 CONECT 22 20 CONECT 23 14 26 43 44 CONECT 24 25 33 45 46 CONECT 25 24 9 47 48 CONECT 26 23 27 31 CONECT 27 26 28 49 CONECT 28 27 29 32 CONECT 29 28 30 50 CONECT 30 29 31 51 CONECT 31 30 26 52 CONECT 32 28 CONECT 33 8 24 34 CONECT 34 33 CONECT 35 1 CONECT 36 3 CONECT 37 6 CONECT 38 10 CONECT 39 17 CONECT 40 18 CONECT 41 19 CONECT 42 21 CONECT 43 23 CONECT 44 23 CONECT 45 24 CONECT 46 24 CONECT 47 25 CONECT 48 25 CONECT 49 27 CONECT 50 29 CONECT 51 30 CONECT 52 31 MASTER 0 0 0 0 0 0 0 0 52 0 52 0 END M END $$$$