D0J1KT AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 CL UNL 1 0.540 4.851 2.941 1.00 0.00 Cl HETATM 2 C UNL 1 0.143 4.249 1.385 1.00 0.00 C HETATM 3 C UNL 1 -0.249 2.941 -0.981 1.00 0.00 C HETATM 4 O UNL 1 0.332 1.671 -1.226 1.00 0.00 O HETATM 5 C UNL 1 1.015 1.528 -2.404 1.00 0.00 C HETATM 6 C UNL 1 2.321 1.039 -2.407 1.00 0.00 C HETATM 7 C UNL 1 2.946 0.778 -3.628 1.00 0.00 C HETATM 8 C UNL 1 2.241 0.962 -4.819 1.00 0.00 C HETATM 9 C UNL 1 0.918 1.416 -4.791 1.00 0.00 C HETATM 10 C UNL 1 0.318 1.733 -3.584 1.00 0.00 C HETATM 11 O UNL 1 0.276 1.497 -5.983 1.00 0.00 O HETATM 12 C UNL 1 -1.146 1.740 -5.966 1.00 0.00 C HETATM 13 C UNL 1 -1.456 1.956 -7.420 1.00 0.00 C HETATM 14 C UNL 1 -2.701 2.741 -7.813 1.00 0.00 C HETATM 15 C UNL 1 -4.185 2.560 -8.328 1.00 0.00 C HETATM 16 N UNL 1 -3.702 2.802 -9.668 1.00 0.00 N HETATM 17 C UNL 1 -2.316 2.875 -9.296 1.00 0.00 C HETATM 18 C UNL 1 -4.085 3.381 -10.837 1.00 0.00 C HETATM 19 N UNL 1 -5.154 4.258 -10.657 1.00 0.00 N HETATM 20 O UNL 1 -3.490 3.315 -11.897 1.00 0.00 O HETATM 21 C UNL 1 -5.721 4.978 -11.681 1.00 0.00 C HETATM 22 C UNL 1 -5.582 5.000 -13.056 1.00 0.00 C HETATM 23 N UNL 1 -6.577 5.770 -13.625 1.00 0.00 N HETATM 24 C UNL 1 -7.318 6.174 -12.605 1.00 0.00 C HETATM 25 N UNL 1 -6.753 5.810 -11.406 1.00 0.00 N HETATM 26 C UNL 1 -8.587 6.800 -12.457 1.00 0.00 C HETATM 27 C UNL 1 -9.337 6.264 -11.464 1.00 0.00 C HETATM 28 C UNL 1 -8.521 6.279 -10.186 1.00 0.00 C HETATM 29 N UNL 1 -7.256 6.004 -10.131 1.00 0.00 N HETATM 30 C UNL 1 -1.230 2.837 0.001 1.00 0.00 C HETATM 31 C UNL 1 -1.036 3.521 1.196 1.00 0.00 C HETATM 32 C UNL 1 0.980 4.522 0.309 1.00 0.00 C HETATM 33 C UNL 1 0.633 4.017 -0.930 1.00 0.00 C HETATM 34 H UNL 1 2.845 0.853 -1.477 1.00 0.00 H HETATM 35 H UNL 1 3.974 0.414 -3.657 1.00 0.00 H HETATM 36 H UNL 1 2.714 0.729 -5.770 1.00 0.00 H HETATM 37 H UNL 1 -0.688 2.106 -3.522 1.00 0.00 H HETATM 38 H UNL 1 -1.393 2.642 -5.397 1.00 0.00 H HETATM 39 H UNL 1 -1.672 0.866 -5.568 1.00 0.00 H HETATM 40 H UNL 1 -1.336 1.010 -7.962 1.00 0.00 H HETATM 41 H UNL 1 -0.615 2.593 -7.756 1.00 0.00 H HETATM 42 H UNL 1 -2.707 3.663 -7.217 1.00 0.00 H HETATM 43 H UNL 1 -4.869 3.333 -7.883 1.00 0.00 H HETATM 44 H UNL 1 -4.662 1.579 -8.212 1.00 0.00 H HETATM 45 H UNL 1 -1.811 3.820 -9.519 1.00 0.00 H HETATM 46 H UNL 1 -1.776 2.044 -9.770 1.00 0.00 H HETATM 47 H UNL 1 -5.523 4.422 -9.732 1.00 0.00 H HETATM 48 H UNL 1 -4.882 4.457 -13.679 1.00 0.00 H HETATM 49 H UNL 1 -8.541 7.889 -12.517 1.00 0.00 H HETATM 50 H UNL 1 -9.593 5.197 -11.575 1.00 0.00 H HETATM 51 H UNL 1 -9.091 6.449 -9.257 1.00 0.00 H HETATM 52 H UNL 1 -2.019 2.098 -0.090 1.00 0.00 H HETATM 53 H UNL 1 -1.747 3.399 2.006 1.00 0.00 H HETATM 54 H UNL 1 1.834 5.184 0.406 1.00 0.00 H HETATM 55 H UNL 1 0.631 4.732 -1.761 1.00 0.00 H CONECT 1 2 CONECT 2 1 31 32 CONECT 3 4 30 33 CONECT 4 3 5 CONECT 5 4 6 10 CONECT 6 5 7 34 CONECT 7 6 8 35 CONECT 8 7 9 36 CONECT 9 8 10 11 CONECT 10 9 5 37 CONECT 11 9 12 CONECT 12 11 13 38 39 CONECT 13 12 14 40 41 CONECT 14 13 15 17 42 CONECT 15 14 16 43 44 CONECT 16 15 17 18 CONECT 17 16 14 45 46 CONECT 18 16 19 20 CONECT 19 18 21 47 CONECT 20 18 CONECT 21 19 22 25 CONECT 22 21 23 48 CONECT 23 22 24 CONECT 24 23 25 26 CONECT 25 24 21 29 CONECT 26 24 27 49 CONECT 27 26 28 50 CONECT 28 27 29 51 CONECT 29 28 25 CONECT 30 3 31 52 CONECT 31 30 2 53 CONECT 32 2 33 54 CONECT 33 32 3 55 CONECT 34 6 CONECT 35 7 CONECT 36 8 CONECT 37 10 CONECT 38 12 CONECT 39 12 CONECT 40 13 CONECT 41 13 CONECT 42 14 CONECT 43 15 CONECT 44 15 CONECT 45 17 CONECT 46 17 CONECT 47 19 CONECT 48 22 CONECT 49 26 CONECT 50 27 CONECT 51 28 CONECT 52 30 CONECT 53 31 CONECT 54 32 CONECT 55 33 MASTER 0 0 0 0 0 0 0 0 55 0 55 0 END M END $$$$