D0H2BU AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 3.001 0.905 -1.517 1.00 0.00 C HETATM 2 C UNL 1 6.125 -0.209 0.860 1.00 0.00 C HETATM 3 C UNL 1 5.921 1.281 0.522 1.00 0.00 C HETATM 4 C UNL 1 6.843 1.994 -0.298 1.00 0.00 C HETATM 5 C UNL 1 6.513 2.306 -1.625 1.00 0.00 C HETATM 6 N UNL 1 5.273 1.881 -2.068 1.00 0.00 N HETATM 7 C UNL 1 4.331 1.528 -1.141 1.00 0.00 C HETATM 8 C UNL 1 4.601 1.554 0.212 1.00 0.00 C HETATM 9 C UNL 1 7.371 3.129 -2.629 1.00 0.00 C HETATM 10 C UNL 1 6.888 3.257 -3.934 1.00 0.00 C HETATM 11 C UNL 1 7.552 4.042 -4.878 1.00 0.00 C HETATM 12 C UNL 1 8.732 4.695 -4.553 1.00 0.00 C HETATM 13 C UNL 1 9.181 4.655 -3.241 1.00 0.00 C HETATM 14 N UNL 1 8.525 3.841 -2.278 1.00 0.00 N HETATM 15 C UNL 1 10.219 5.693 -2.802 1.00 0.00 C HETATM 16 C UNL 1 10.857 6.685 -3.627 1.00 0.00 C HETATM 17 C UNL 1 11.389 7.856 -3.025 1.00 0.00 C HETATM 18 C UNL 1 11.542 7.944 -1.658 1.00 0.00 C HETATM 19 C UNL 1 11.371 6.790 -0.939 1.00 0.00 C HETATM 20 C UNL 1 10.467 5.845 -1.438 1.00 0.00 C HETATM 21 C UNL 1 5.020 -1.067 1.065 1.00 0.00 C HETATM 22 N UNL 1 4.943 -2.343 0.613 1.00 0.00 N HETATM 23 C UNL 1 6.060 -2.840 0.034 1.00 0.00 C HETATM 24 C UNL 1 7.298 -2.245 0.268 1.00 0.00 C HETATM 25 C UNL 1 7.322 -0.888 0.628 1.00 0.00 C HETATM 26 S UNL 1 11.927 9.334 -3.900 1.00 0.00 S HETATM 27 N UNL 1 13.225 9.925 -3.008 1.00 0.00 N HETATM 28 O UNL 1 12.453 8.917 -5.188 1.00 0.00 O HETATM 29 O UNL 1 10.882 10.304 -3.789 1.00 0.00 O HETATM 30 C UNL 1 5.920 -3.730 -1.210 1.00 0.00 C HETATM 31 F UNL 1 4.644 -3.811 -1.693 1.00 0.00 F HETATM 32 F UNL 1 6.654 -3.222 -2.253 1.00 0.00 F HETATM 33 F UNL 1 6.358 -5.004 -1.045 1.00 0.00 F HETATM 34 H UNL 1 2.902 -0.072 -1.015 1.00 0.00 H HETATM 35 H UNL 1 2.890 0.724 -2.586 1.00 0.00 H HETATM 36 H UNL 1 2.174 1.526 -1.155 1.00 0.00 H HETATM 37 H UNL 1 7.672 2.518 0.173 1.00 0.00 H HETATM 38 H UNL 1 3.800 1.295 0.902 1.00 0.00 H HETATM 39 H UNL 1 5.961 2.772 -4.223 1.00 0.00 H HETATM 40 H UNL 1 7.106 4.198 -5.857 1.00 0.00 H HETATM 41 H UNL 1 9.219 5.297 -5.313 1.00 0.00 H HETATM 42 H UNL 1 10.841 6.635 -4.712 1.00 0.00 H HETATM 43 H UNL 1 11.921 8.840 -1.179 1.00 0.00 H HETATM 44 H UNL 1 12.371 6.367 -0.690 1.00 0.00 H HETATM 45 H UNL 1 9.796 5.379 -0.725 1.00 0.00 H HETATM 46 H UNL 1 4.060 -0.711 1.436 1.00 0.00 H HETATM 47 H UNL 1 8.205 -2.746 -0.054 1.00 0.00 H HETATM 48 H UNL 1 8.256 -0.354 0.541 1.00 0.00 H HETATM 49 H UNL 1 14.075 9.928 -3.563 1.00 0.00 H HETATM 50 H UNL 1 12.997 10.830 -2.598 1.00 0.00 H CONECT 1 7 34 35 36 CONECT 2 3 21 25 CONECT 3 2 4 8 CONECT 4 3 5 37 CONECT 5 4 6 9 CONECT 6 5 7 CONECT 7 1 6 8 CONECT 8 7 3 38 CONECT 9 5 10 14 CONECT 10 9 11 39 CONECT 11 10 12 40 CONECT 12 11 13 41 CONECT 13 12 14 15 CONECT 14 13 9 CONECT 15 13 16 20 CONECT 16 15 17 42 CONECT 17 16 18 26 CONECT 18 17 19 43 CONECT 19 18 20 44 CONECT 20 19 15 45 CONECT 21 2 22 46 CONECT 22 21 23 CONECT 23 30 22 24 CONECT 24 23 25 47 CONECT 25 24 2 48 CONECT 26 17 27 28 29 CONECT 27 26 49 50 CONECT 28 26 CONECT 29 26 CONECT 30 31 32 33 23 CONECT 31 30 CONECT 32 30 CONECT 33 30 CONECT 34 1 CONECT 35 1 CONECT 36 1 CONECT 37 4 CONECT 38 8 CONECT 39 10 CONECT 40 11 CONECT 41 12 CONECT 42 16 CONECT 43 18 CONECT 44 19 CONECT 45 20 CONECT 46 21 CONECT 47 24 CONECT 48 25 CONECT 49 27 CONECT 50 27 MASTER 0 0 0 0 0 0 0 0 50 0 50 0 END M END $$$$