D0CW1J AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 2.159 -1.432 3.505 1.00 0.00 C HETATM 2 C UNL 1 1.076 -1.894 2.750 1.00 0.00 C HETATM 3 C UNL 1 -0.054 -1.048 2.464 1.00 0.00 C HETATM 4 C UNL 1 -0.038 0.288 2.917 1.00 0.00 C HETATM 5 C UNL 1 1.269 0.746 3.253 1.00 0.00 C HETATM 6 C UNL 1 2.291 -0.099 3.730 1.00 0.00 C HETATM 7 C UNL 1 -1.258 1.150 3.157 1.00 0.00 C HETATM 8 C UNL 1 -2.664 1.154 2.592 1.00 0.00 C HETATM 9 N UNL 1 -2.398 2.467 2.126 1.00 0.00 N HETATM 10 C UNL 1 -2.081 3.241 3.315 1.00 0.00 C HETATM 11 C UNL 1 -0.895 2.566 3.457 1.00 0.00 C HETATM 12 C UNL 1 -4.278 1.182 2.855 1.00 0.00 C HETATM 13 C UNL 1 -5.060 2.395 2.687 1.00 0.00 C HETATM 14 C UNL 1 -6.487 2.497 2.555 1.00 0.00 C HETATM 15 C UNL 1 -7.248 1.358 2.552 1.00 0.00 C HETATM 16 C UNL 1 -6.541 0.166 2.862 1.00 0.00 C HETATM 17 C UNL 1 -5.099 0.063 3.002 1.00 0.00 C HETATM 18 O UNL 1 -8.587 1.214 2.333 1.00 0.00 O HETATM 19 C UNL 1 -2.831 3.370 4.608 1.00 0.00 C HETATM 20 O UNL 1 -3.282 2.358 5.159 1.00 0.00 O HETATM 21 N UNL 1 -2.933 4.571 5.327 1.00 0.00 N HETATM 22 C UNL 1 -2.279 5.848 5.078 1.00 0.00 C HETATM 23 C UNL 1 -3.023 7.048 5.754 1.00 0.00 C HETATM 24 C UNL 1 -3.383 6.868 7.281 1.00 0.00 C HETATM 25 C UNL 1 -3.063 5.399 7.659 1.00 0.00 C HETATM 26 C UNL 1 -3.658 4.476 6.594 1.00 0.00 C HETATM 27 C UNL 1 -4.930 6.980 7.576 1.00 0.00 C HETATM 28 N UNL 1 -5.250 6.845 8.907 1.00 0.00 N HETATM 29 O UNL 1 -5.805 7.105 6.728 1.00 0.00 O HETATM 30 CL UNL 1 1.936 2.152 2.403 1.00 0.00 Cl HETATM 31 C UNL 1 -1.889 2.486 0.747 1.00 0.00 C HETATM 32 C UNL 1 -9.445 2.161 1.672 1.00 0.00 C HETATM 33 C UNL 1 -9.301 2.196 0.141 1.00 0.00 C HETATM 34 C UNL 1 -10.467 2.883 -0.589 1.00 0.00 C HETATM 35 N UNL 1 -2.683 7.815 8.247 1.00 0.00 N HETATM 36 C UNL 1 -3.036 9.244 8.049 1.00 0.00 C HETATM 37 C UNL 1 -2.566 10.250 9.103 1.00 0.00 C HETATM 38 C UNL 1 -1.903 9.930 10.300 1.00 0.00 C HETATM 39 C UNL 1 -1.535 10.934 11.218 1.00 0.00 C HETATM 40 C UNL 1 -1.842 12.265 10.954 1.00 0.00 C HETATM 41 C UNL 1 -2.506 12.619 9.790 1.00 0.00 C HETATM 42 C UNL 1 -2.861 11.620 8.876 1.00 0.00 C HETATM 43 F UNL 1 -1.512 13.218 11.841 1.00 0.00 F HETATM 44 O UNL 1 -10.181 3.045 -1.978 1.00 0.00 O HETATM 45 H UNL 1 2.954 -2.115 3.807 1.00 0.00 H HETATM 46 H UNL 1 1.088 -2.896 2.368 1.00 0.00 H HETATM 47 H UNL 1 -0.857 -1.424 1.873 1.00 0.00 H HETATM 48 H UNL 1 3.220 0.328 4.121 1.00 0.00 H HETATM 49 H UNL 1 -0.032 2.911 4.014 1.00 0.00 H HETATM 50 H UNL 1 -4.565 3.364 2.639 1.00 0.00 H HETATM 51 H UNL 1 -6.935 3.480 2.457 1.00 0.00 H HETATM 52 H UNL 1 -7.136 -0.743 2.981 1.00 0.00 H HETATM 53 H UNL 1 -4.678 -0.917 3.188 1.00 0.00 H HETATM 54 H UNL 1 -2.165 6.001 4.000 1.00 0.00 H HETATM 55 H UNL 1 -1.266 5.770 5.497 1.00 0.00 H HETATM 56 H UNL 1 -3.940 7.220 5.177 1.00 0.00 H HETATM 57 H UNL 1 -2.407 7.940 5.606 1.00 0.00 H HETATM 58 H UNL 1 -3.486 5.115 8.630 1.00 0.00 H HETATM 59 H UNL 1 -1.980 5.237 7.739 1.00 0.00 H HETATM 60 H UNL 1 -4.699 4.725 6.353 1.00 0.00 H HETATM 61 H UNL 1 -3.680 3.456 6.988 1.00 0.00 H HETATM 62 H UNL 1 -4.519 6.980 9.597 1.00 0.00 H HETATM 63 H UNL 1 -6.217 6.884 9.198 1.00 0.00 H HETATM 64 H UNL 1 -2.761 2.414 0.086 1.00 0.00 H HETATM 65 H UNL 1 -1.290 1.583 0.568 1.00 0.00 H HETATM 66 H UNL 1 -1.291 3.377 0.572 1.00 0.00 H HETATM 67 H UNL 1 -9.400 3.161 2.120 1.00 0.00 H HETATM 68 H UNL 1 -10.465 1.795 1.874 1.00 0.00 H HETATM 69 H UNL 1 -9.211 1.173 -0.245 1.00 0.00 H HETATM 70 H UNL 1 -8.365 2.693 -0.130 1.00 0.00 H HETATM 71 H UNL 1 -10.669 3.882 -0.191 1.00 0.00 H HETATM 72 H UNL 1 -11.392 2.299 -0.510 1.00 0.00 H HETATM 73 H UNL 1 -1.676 7.718 8.138 1.00 0.00 H HETATM 74 H UNL 1 -4.126 9.357 8.005 1.00 0.00 H HETATM 75 H UNL 1 -2.623 9.578 7.091 1.00 0.00 H HETATM 76 H UNL 1 -1.676 8.896 10.546 1.00 0.00 H HETATM 77 H UNL 1 -1.021 10.690 12.144 1.00 0.00 H HETATM 78 H UNL 1 -2.751 13.659 9.603 1.00 0.00 H HETATM 79 H UNL 1 -3.394 11.917 7.973 1.00 0.00 H HETATM 80 H UNL 1 -9.578 2.338 -2.264 1.00 0.00 H CONECT 1 2 6 45 CONECT 2 1 3 46 CONECT 3 2 4 47 CONECT 4 3 5 7 CONECT 5 4 6 30 CONECT 6 5 1 48 CONECT 7 4 8 11 CONECT 8 7 9 12 CONECT 9 8 10 31 CONECT 10 9 11 19 CONECT 11 10 7 49 CONECT 12 8 13 17 CONECT 13 12 14 50 CONECT 14 13 15 51 CONECT 15 14 16 18 CONECT 16 15 17 52 CONECT 17 16 12 53 CONECT 18 15 32 CONECT 19 10 20 21 CONECT 20 19 CONECT 21 19 22 26 CONECT 22 21 23 54 55 CONECT 23 22 24 56 57 CONECT 24 23 25 27 35 CONECT 25 24 26 58 59 CONECT 26 25 21 60 61 CONECT 27 24 28 29 CONECT 28 27 62 63 CONECT 29 27 CONECT 30 5 CONECT 31 9 64 65 66 CONECT 32 18 33 67 68 CONECT 33 32 34 69 70 CONECT 34 33 44 71 72 CONECT 35 24 36 73 CONECT 36 35 37 74 75 CONECT 37 36 38 42 CONECT 38 37 39 76 CONECT 39 38 40 77 CONECT 40 39 41 43 CONECT 41 40 42 78 CONECT 42 41 37 79 CONECT 43 40 CONECT 44 34 80 CONECT 45 1 CONECT 46 2 CONECT 47 3 CONECT 48 6 CONECT 49 11 CONECT 50 13 CONECT 51 14 CONECT 52 16 CONECT 53 17 CONECT 54 22 CONECT 55 22 CONECT 56 23 CONECT 57 23 CONECT 58 25 CONECT 59 25 CONECT 60 26 CONECT 61 26 CONECT 62 28 CONECT 63 28 CONECT 64 31 CONECT 65 31 CONECT 66 31 CONECT 67 32 CONECT 68 32 CONECT 69 33 CONECT 70 33 CONECT 71 34 CONECT 72 34 CONECT 73 35 CONECT 74 36 CONECT 75 36 CONECT 76 38 CONECT 77 39 CONECT 78 41 CONECT 79 42 CONECT 80 44 MASTER 0 0 0 0 0 0 0 0 80 0 80 0 END M END $$$$