D04OCD AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 0.867 0.715 -0.751 1.00 0.00 C HETATM 2 C UNL 1 0.078 1.700 -1.396 1.00 0.00 C HETATM 3 C UNL 1 -1.270 1.452 -1.709 1.00 0.00 C HETATM 4 C UNL 1 -1.911 0.319 -1.220 1.00 0.00 C HETATM 5 C UNL 1 -1.188 -0.579 -0.448 1.00 0.00 C HETATM 6 C UNL 1 0.184 -0.397 -0.236 1.00 0.00 C HETATM 7 C UNL 1 2.350 0.793 -0.680 1.00 0.00 C HETATM 8 C UNL 1 3.318 0.169 0.204 1.00 0.00 C HETATM 9 C UNL 1 4.480 0.880 -0.027 1.00 0.00 C HETATM 10 N UNL 1 4.305 1.466 -1.268 1.00 0.00 N HETATM 11 N UNL 1 3.006 1.560 -1.586 1.00 0.00 N HETATM 12 C UNL 1 5.347 1.421 -2.306 1.00 0.00 C HETATM 13 C UNL 1 5.442 2.565 -3.318 1.00 0.00 C HETATM 14 N UNL 1 3.243 -0.887 1.138 1.00 0.00 N HETATM 15 C UNL 1 3.065 -2.202 0.665 1.00 0.00 C HETATM 16 C UNL 1 2.701 -3.201 1.670 1.00 0.00 C HETATM 17 O UNL 1 3.047 -2.486 -0.530 1.00 0.00 O HETATM 18 CL UNL 1 -1.979 -1.959 0.211 1.00 0.00 Cl HETATM 19 O UNL 1 0.501 2.939 -1.807 1.00 0.00 O HETATM 20 C UNL 1 1.076 3.756 -0.783 1.00 0.00 C HETATM 21 F UNL 1 0.503 4.988 -0.884 1.00 0.00 F HETATM 22 F UNL 1 0.770 3.307 0.463 1.00 0.00 F HETATM 23 C UNL 1 3.247 -4.445 1.978 1.00 0.00 C HETATM 24 N UNL 1 2.178 -5.174 2.533 1.00 0.00 N HETATM 25 N UNL 1 1.182 -4.355 2.939 1.00 0.00 N HETATM 26 C UNL 1 1.459 -3.210 2.337 1.00 0.00 C HETATM 27 N UNL 1 4.462 -5.076 1.766 1.00 0.00 N HETATM 28 C UNL 1 4.463 -6.368 1.885 1.00 0.00 C HETATM 29 C UNL 1 3.261 -7.230 2.157 1.00 0.00 C HETATM 30 C UNL 1 2.184 -6.566 2.533 1.00 0.00 C HETATM 31 N UNL 1 5.047 2.272 -4.634 1.00 0.00 N HETATM 32 O UNL 1 5.994 3.627 -3.025 1.00 0.00 O HETATM 33 C UNL 1 5.378 3.148 -5.780 1.00 0.00 C HETATM 34 C UNL 1 5.065 2.555 -7.206 1.00 0.00 C HETATM 35 C UNL 1 3.821 1.614 -7.219 1.00 0.00 C HETATM 36 C UNL 1 4.061 0.640 -6.060 1.00 0.00 C HETATM 37 C UNL 1 3.875 1.451 -4.810 1.00 0.00 C HETATM 38 N UNL 1 3.490 0.871 -8.468 1.00 0.00 N HETATM 39 C UNL 1 2.281 0.012 -8.220 1.00 0.00 C HETATM 40 C UNL 1 3.206 1.805 -9.570 1.00 0.00 C HETATM 41 C UNL 1 1.802 -0.813 -9.392 1.00 0.00 C HETATM 42 C UNL 1 0.597 -1.689 -9.091 1.00 0.00 C HETATM 43 C UNL 1 -0.436 -2.440 -8.833 1.00 0.00 C HETATM 44 H UNL 1 -1.822 2.156 -2.328 1.00 0.00 H HETATM 45 H UNL 1 -2.963 0.153 -1.436 1.00 0.00 H HETATM 46 H UNL 1 0.712 -1.164 0.308 1.00 0.00 H HETATM 47 H UNL 1 5.461 0.840 0.420 1.00 0.00 H HETATM 48 H UNL 1 5.229 0.450 -2.804 1.00 0.00 H HETATM 49 H UNL 1 6.307 1.362 -1.792 1.00 0.00 H HETATM 50 H UNL 1 3.967 -0.869 1.850 1.00 0.00 H HETATM 51 H UNL 1 2.155 3.873 -0.902 1.00 0.00 H HETATM 52 H UNL 1 0.700 -2.440 2.343 1.00 0.00 H HETATM 53 H UNL 1 5.411 -6.927 1.831 1.00 0.00 H HETATM 54 H UNL 1 3.328 -8.312 2.065 1.00 0.00 H HETATM 55 H UNL 1 1.241 -7.034 2.794 1.00 0.00 H HETATM 56 H UNL 1 6.449 3.393 -5.724 1.00 0.00 H HETATM 57 H UNL 1 4.833 4.089 -5.651 1.00 0.00 H HETATM 58 H UNL 1 5.944 1.999 -7.560 1.00 0.00 H HETATM 59 H UNL 1 4.934 3.390 -7.904 1.00 0.00 H HETATM 60 H UNL 1 2.952 2.251 -7.002 1.00 0.00 H HETATM 61 H UNL 1 5.072 0.205 -6.125 1.00 0.00 H HETATM 62 H UNL 1 3.377 -0.195 -5.978 1.00 0.00 H HETATM 63 H UNL 1 3.671 0.782 -3.985 1.00 0.00 H HETATM 64 H UNL 1 3.009 2.123 -4.873 1.00 0.00 H HETATM 65 H UNL 1 1.456 0.622 -7.829 1.00 0.00 H HETATM 66 H UNL 1 2.507 -0.748 -7.472 1.00 0.00 H HETATM 67 H UNL 1 4.036 2.493 -9.751 1.00 0.00 H HETATM 68 H UNL 1 2.299 2.394 -9.383 1.00 0.00 H HETATM 69 H UNL 1 3.073 1.267 -10.516 1.00 0.00 H HETATM 70 H UNL 1 2.611 -1.456 -9.760 1.00 0.00 H HETATM 71 H UNL 1 1.501 -0.168 -10.226 1.00 0.00 H HETATM 72 H UNL 1 -1.280 -3.057 -8.623 1.00 0.00 H CONECT 1 2 6 7 CONECT 2 1 3 19 CONECT 3 2 4 44 CONECT 4 3 5 45 CONECT 5 4 6 18 CONECT 6 5 1 46 CONECT 7 1 8 11 CONECT 8 7 9 14 CONECT 9 8 10 47 CONECT 10 9 11 12 CONECT 11 10 7 CONECT 12 10 13 48 49 CONECT 13 12 31 32 CONECT 14 8 15 50 CONECT 15 14 16 17 CONECT 16 15 23 26 CONECT 17 15 CONECT 18 5 CONECT 19 2 20 CONECT 20 19 21 22 51 CONECT 21 20 CONECT 22 20 CONECT 23 16 24 27 CONECT 24 23 25 30 CONECT 25 24 26 CONECT 26 25 16 52 CONECT 27 23 28 CONECT 28 27 29 53 CONECT 29 28 30 54 CONECT 30 29 24 55 CONECT 31 13 33 37 CONECT 32 13 CONECT 33 31 34 56 57 CONECT 34 33 35 58 59 CONECT 35 34 36 38 60 CONECT 36 35 37 61 62 CONECT 37 36 31 63 64 CONECT 38 35 39 40 CONECT 39 38 41 65 66 CONECT 40 38 67 68 69 CONECT 41 39 42 70 71 CONECT 42 41 43 CONECT 43 42 72 CONECT 44 3 CONECT 45 4 CONECT 46 6 CONECT 47 9 CONECT 48 12 CONECT 49 12 CONECT 50 14 CONECT 51 20 CONECT 52 26 CONECT 53 28 CONECT 54 29 CONECT 55 30 CONECT 56 33 CONECT 57 33 CONECT 58 34 CONECT 59 34 CONECT 60 35 CONECT 61 36 CONECT 62 36 CONECT 63 37 CONECT 64 37 CONECT 65 39 CONECT 66 39 CONECT 67 40 CONECT 68 40 CONECT 69 40 CONECT 70 41 CONECT 71 41 CONECT 72 43 MASTER 0 0 0 0 0 0 0 0 72 0 72 0 END M END $$$$