D0V4KJ AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 3.039 1.178 1.098 1.00 0.00 C HETATM 2 C UNL 1 2.953 1.564 -0.241 1.00 0.00 C HETATM 3 C UNL 1 4.101 1.631 -1.037 1.00 0.00 C HETATM 4 C UNL 1 5.368 1.275 -0.514 1.00 0.00 C HETATM 5 C UNL 1 5.413 0.912 0.836 1.00 0.00 C HETATM 6 C UNL 1 4.278 0.856 1.636 1.00 0.00 C HETATM 7 C UNL 1 6.555 0.876 -1.435 1.00 0.00 C HETATM 8 C UNL 1 7.991 1.038 -0.905 1.00 0.00 C HETATM 9 C UNL 1 8.988 0.257 -1.836 1.00 0.00 C HETATM 10 C UNL 1 8.460 -1.170 -2.073 1.00 0.00 C HETATM 11 C UNL 1 6.586 1.314 -2.899 1.00 0.00 C HETATM 12 C UNL 1 7.649 0.464 -3.681 1.00 0.00 C HETATM 13 C UNL 1 7.582 -1.039 -3.329 1.00 0.00 C HETATM 14 N UNL 1 8.996 0.856 -3.204 1.00 0.00 N HETATM 15 C UNL 1 10.140 0.315 -4.047 1.00 0.00 C HETATM 16 C UNL 1 10.291 0.940 -5.485 1.00 0.00 C HETATM 17 C UNL 1 11.612 0.751 -6.217 1.00 0.00 C HETATM 18 C UNL 1 12.220 -0.482 -6.485 1.00 0.00 C HETATM 19 C UNL 1 13.412 -0.524 -7.238 1.00 0.00 C HETATM 20 C UNL 1 14.111 0.645 -7.519 1.00 0.00 C HETATM 21 C UNL 1 13.560 1.857 -7.146 1.00 0.00 C HETATM 22 C UNL 1 12.226 1.887 -6.756 1.00 0.00 C HETATM 23 BR UNL 1 14.108 -2.168 -7.861 1.00 0.00 Br HETATM 24 O UNL 1 9.300 0.440 -6.366 1.00 0.00 O HETATM 25 H UNL 1 2.141 1.099 1.706 1.00 0.00 H HETATM 26 H UNL 1 1.980 1.793 -0.668 1.00 0.00 H HETATM 27 H UNL 1 3.974 1.839 -2.096 1.00 0.00 H HETATM 28 H UNL 1 6.344 0.573 1.284 1.00 0.00 H HETATM 29 H UNL 1 4.351 0.523 2.668 1.00 0.00 H HETATM 30 H UNL 1 6.314 -0.201 -1.422 1.00 0.00 H HETATM 31 H UNL 1 8.103 0.650 0.106 1.00 0.00 H HETATM 32 H UNL 1 8.267 2.096 -0.871 1.00 0.00 H HETATM 33 H UNL 1 9.984 0.266 -1.376 1.00 0.00 H HETATM 34 H UNL 1 7.897 -1.555 -1.210 1.00 0.00 H HETATM 35 H UNL 1 9.274 -1.877 -2.249 1.00 0.00 H HETATM 36 H UNL 1 5.610 1.192 -3.402 1.00 0.00 H HETATM 37 H UNL 1 6.834 2.382 -2.985 1.00 0.00 H HETATM 38 H UNL 1 7.494 0.641 -4.749 1.00 0.00 H HETATM 39 H UNL 1 7.999 -1.648 -4.131 1.00 0.00 H HETATM 40 H UNL 1 6.553 -1.383 -3.169 1.00 0.00 H HETATM 41 H UNL 1 10.080 -0.774 -4.151 1.00 0.00 H HETATM 42 H UNL 1 11.065 0.526 -3.491 1.00 0.00 H HETATM 43 H UNL 1 10.136 2.025 -5.357 1.00 0.00 H HETATM 44 H UNL 1 11.745 -1.406 -6.180 1.00 0.00 H HETATM 45 H UNL 1 15.063 0.632 -8.045 1.00 0.00 H HETATM 46 H UNL 1 14.146 2.769 -7.183 1.00 0.00 H HETATM 47 H UNL 1 11.641 2.785 -6.946 1.00 0.00 H HETATM 48 H UNL 1 8.590 1.104 -6.366 1.00 0.00 H CONECT 1 2 6 25 CONECT 2 1 3 26 CONECT 3 2 4 27 CONECT 4 3 5 7 CONECT 5 4 6 28 CONECT 6 5 1 29 CONECT 7 4 8 11 30 CONECT 8 7 9 31 32 CONECT 9 8 10 14 33 CONECT 10 9 13 34 35 CONECT 11 7 12 36 37 CONECT 12 11 13 14 38 CONECT 13 12 10 39 40 CONECT 14 12 9 15 CONECT 15 14 16 41 42 CONECT 16 15 17 24 43 CONECT 17 16 18 22 CONECT 18 17 19 44 CONECT 19 18 20 23 CONECT 20 19 21 45 CONECT 21 20 22 46 CONECT 22 21 17 47 CONECT 23 19 CONECT 24 16 48 CONECT 25 1 CONECT 26 2 CONECT 27 3 CONECT 28 5 CONECT 29 6 CONECT 30 7 CONECT 31 8 CONECT 32 8 CONECT 33 9 CONECT 34 10 CONECT 35 10 CONECT 36 11 CONECT 37 11 CONECT 38 12 CONECT 39 13 CONECT 40 13 CONECT 41 15 CONECT 42 15 CONECT 43 16 CONECT 44 18 CONECT 45 20 CONECT 46 21 CONECT 47 22 CONECT 48 24 MASTER 0 0 0 0 0 0 0 0 48 0 48 0 END M END $$$$