D0C4TB AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.623 -0.798 1.362 1.00 0.00 C HETATM 2 N UNL 1 1.015 -0.178 2.488 1.00 0.00 N HETATM 3 N UNL 1 1.346 1.192 2.386 1.00 0.00 N HETATM 4 C UNL 1 1.480 1.323 1.025 1.00 0.00 C HETATM 5 C UNL 1 0.983 0.088 0.461 1.00 0.00 C HETATM 6 C UNL 1 0.071 -0.715 3.448 1.00 0.00 C HETATM 7 C UNL 1 -0.250 0.037 4.575 1.00 0.00 C HETATM 8 C UNL 1 -0.411 -0.618 5.802 1.00 0.00 C HETATM 9 C UNL 1 -0.519 -2.004 5.841 1.00 0.00 C HETATM 10 C UNL 1 -0.667 -2.694 4.649 1.00 0.00 C HETATM 11 C UNL 1 -0.401 -2.034 3.440 1.00 0.00 C HETATM 12 C UNL 1 2.137 2.433 0.258 1.00 0.00 C HETATM 13 CL UNL 1 -1.234 -2.704 2.072 1.00 0.00 Cl HETATM 14 C UNL 1 -0.422 -0.034 -0.061 1.00 0.00 C HETATM 15 CL UNL 1 -0.646 -2.829 7.341 1.00 0.00 Cl HETATM 16 N UNL 1 2.568 3.528 1.023 1.00 0.00 N HETATM 17 C UNL 1 3.062 -1.222 1.215 1.00 0.00 C HETATM 18 C UNL 1 3.757 -1.194 0.008 1.00 0.00 C HETATM 19 C UNL 1 5.124 -1.637 0.093 1.00 0.00 C HETATM 20 C UNL 1 5.506 -2.021 1.376 1.00 0.00 C HETATM 21 S UNL 1 4.157 -1.776 2.452 1.00 0.00 S HETATM 22 O UNL 1 2.327 2.319 -0.948 1.00 0.00 O HETATM 23 N UNL 1 3.568 4.513 0.640 1.00 0.00 N HETATM 24 C UNL 1 6.856 -2.530 1.719 1.00 0.00 C HETATM 25 C UNL 1 8.002 -2.940 1.758 1.00 0.00 C HETATM 26 C UNL 1 9.439 -3.436 1.581 1.00 0.00 C HETATM 27 C UNL 1 10.335 -3.530 2.844 1.00 0.00 C HETATM 28 C UNL 1 11.858 -3.256 2.691 1.00 0.00 C HETATM 29 C UNL 1 12.244 -2.342 1.539 1.00 0.00 C HETATM 30 C UNL 1 11.550 -2.823 0.281 1.00 0.00 C HETATM 31 C UNL 1 10.055 -2.596 0.450 1.00 0.00 C HETATM 32 C UNL 1 3.723 5.030 -0.754 1.00 0.00 C HETATM 33 C UNL 1 5.255 5.178 -0.941 1.00 0.00 C HETATM 34 C UNL 1 5.763 4.036 -0.076 1.00 0.00 C HETATM 35 C UNL 1 4.909 4.195 1.165 1.00 0.00 C HETATM 36 C UNL 1 5.928 5.140 -2.323 1.00 0.00 C HETATM 37 C UNL 1 7.470 5.149 -2.159 1.00 0.00 C HETATM 38 C UNL 1 7.957 4.025 -1.236 1.00 0.00 C HETATM 39 C UNL 1 7.269 4.112 0.127 1.00 0.00 C HETATM 40 H UNL 1 -0.395 1.113 4.511 1.00 0.00 H HETATM 41 H UNL 1 -0.463 -0.041 6.721 1.00 0.00 H HETATM 42 H UNL 1 -1.054 -3.711 4.658 1.00 0.00 H HETATM 43 H UNL 1 -0.826 -1.023 0.147 1.00 0.00 H HETATM 44 H UNL 1 -0.464 0.110 -1.140 1.00 0.00 H HETATM 45 H UNL 1 -1.090 0.691 0.425 1.00 0.00 H HETATM 46 H UNL 1 2.377 3.458 2.009 1.00 0.00 H HETATM 47 H UNL 1 3.307 -0.855 -0.921 1.00 0.00 H HETATM 48 H UNL 1 5.785 -1.674 -0.765 1.00 0.00 H HETATM 49 H UNL 1 9.355 -4.466 1.196 1.00 0.00 H HETATM 50 H UNL 1 9.950 -2.897 3.648 1.00 0.00 H HETATM 51 H UNL 1 10.262 -4.557 3.234 1.00 0.00 H HETATM 52 H UNL 1 12.255 -2.839 3.625 1.00 0.00 H HETATM 53 H UNL 1 12.390 -4.209 2.552 1.00 0.00 H HETATM 54 H UNL 1 13.332 -2.337 1.397 1.00 0.00 H HETATM 55 H UNL 1 11.955 -1.307 1.765 1.00 0.00 H HETATM 56 H UNL 1 11.767 -3.886 0.107 1.00 0.00 H HETATM 57 H UNL 1 11.918 -2.270 -0.590 1.00 0.00 H HETATM 58 H UNL 1 9.545 -2.817 -0.495 1.00 0.00 H HETATM 59 H UNL 1 9.886 -1.529 0.653 1.00 0.00 H HETATM 60 H UNL 1 3.281 4.403 -1.528 1.00 0.00 H HETATM 61 H UNL 1 3.260 6.024 -0.819 1.00 0.00 H HETATM 62 H UNL 1 5.548 6.139 -0.489 1.00 0.00 H HETATM 63 H UNL 1 5.520 3.077 -0.558 1.00 0.00 H HETATM 64 H UNL 1 5.256 5.050 1.762 1.00 0.00 H HETATM 65 H UNL 1 4.936 3.305 1.798 1.00 0.00 H HETATM 66 H UNL 1 5.639 4.240 -2.878 1.00 0.00 H HETATM 67 H UNL 1 5.635 6.005 -2.929 1.00 0.00 H HETATM 68 H UNL 1 7.787 6.111 -1.735 1.00 0.00 H HETATM 69 H UNL 1 7.964 5.062 -3.134 1.00 0.00 H HETATM 70 H UNL 1 9.044 4.077 -1.109 1.00 0.00 H HETATM 71 H UNL 1 7.736 3.055 -1.700 1.00 0.00 H HETATM 72 H UNL 1 7.545 5.056 0.614 1.00 0.00 H HETATM 73 H UNL 1 7.606 3.299 0.777 1.00 0.00 H CONECT 1 2 5 17 CONECT 2 1 3 6 CONECT 3 2 4 CONECT 4 3 5 12 CONECT 5 4 1 14 CONECT 6 2 7 11 CONECT 7 6 8 40 CONECT 8 7 9 41 CONECT 9 8 10 15 CONECT 10 9 11 42 CONECT 11 10 6 13 CONECT 12 16 22 4 CONECT 13 11 CONECT 14 5 43 44 45 CONECT 15 9 CONECT 16 12 23 46 CONECT 17 1 18 21 CONECT 18 17 19 47 CONECT 19 18 20 48 CONECT 20 19 21 24 CONECT 21 20 17 CONECT 22 12 CONECT 23 16 32 35 CONECT 24 20 25 CONECT 25 24 26 CONECT 26 25 27 31 49 CONECT 27 26 28 50 51 CONECT 28 27 29 52 53 CONECT 29 28 30 54 55 CONECT 30 29 31 56 57 CONECT 31 30 26 58 59 CONECT 32 23 33 60 61 CONECT 33 32 34 36 62 CONECT 34 33 35 39 63 CONECT 35 34 23 64 65 CONECT 36 33 37 66 67 CONECT 37 36 38 68 69 CONECT 38 37 39 70 71 CONECT 39 38 34 72 73 CONECT 40 7 CONECT 41 8 CONECT 42 10 CONECT 43 14 CONECT 44 14 CONECT 45 14 CONECT 46 16 CONECT 47 18 CONECT 48 19 CONECT 49 26 CONECT 50 27 CONECT 51 27 CONECT 52 28 CONECT 53 28 CONECT 54 29 CONECT 55 29 CONECT 56 30 CONECT 57 30 CONECT 58 31 CONECT 59 31 CONECT 60 32 CONECT 61 32 CONECT 62 33 CONECT 63 34 CONECT 64 35 CONECT 65 35 CONECT 66 36 CONECT 67 36 CONECT 68 37 CONECT 69 37 CONECT 70 38 CONECT 71 38 CONECT 72 39 CONECT 73 39 MASTER 0 0 0 0 0 0 0 0 73 0 73 0 END M END $$$$