D0UG5O AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 2.127 -0.166 -0.923 1.00 0.00 C HETATM 2 C UNL 1 3.085 -0.025 -1.977 1.00 0.00 C HETATM 3 C UNL 1 4.399 0.314 -1.689 1.00 0.00 C HETATM 4 C UNL 1 4.670 0.485 -0.349 1.00 0.00 C HETATM 5 C UNL 1 3.618 1.110 0.326 1.00 0.00 C HETATM 6 C UNL 1 2.445 0.313 0.330 1.00 0.00 C HETATM 7 CL UNL 1 2.667 -0.343 -3.625 1.00 0.00 Cl HETATM 8 C UNL 1 3.299 2.572 -0.220 1.00 0.00 C HETATM 9 C UNL 1 1.710 0.221 1.658 1.00 0.00 C HETATM 10 N UNL 1 1.142 -0.994 2.044 1.00 0.00 N HETATM 11 O UNL 1 1.809 1.175 2.432 1.00 0.00 O HETATM 12 C UNL 1 1.435 -1.473 3.432 1.00 0.00 C HETATM 13 N UNL 1 5.534 -0.437 0.290 1.00 0.00 N HETATM 14 C UNL 1 6.199 -0.020 1.527 1.00 0.00 C HETATM 15 C UNL 1 5.428 -1.876 -0.107 1.00 0.00 C HETATM 16 C UNL 1 5.405 -2.900 1.046 1.00 0.00 C HETATM 17 C UNL 1 5.621 -4.373 0.618 1.00 0.00 C HETATM 18 C UNL 1 6.665 -4.607 -0.511 1.00 0.00 C HETATM 19 C UNL 1 6.394 -3.598 -1.638 1.00 0.00 C HETATM 20 C UNL 1 6.536 -2.187 -1.106 1.00 0.00 C HETATM 21 N UNL 1 6.655 -6.007 -1.020 1.00 0.00 N HETATM 22 C UNL 1 7.568 -6.197 -2.160 1.00 0.00 C HETATM 23 C UNL 1 7.027 -6.977 0.018 1.00 0.00 C HETATM 24 C UNL 1 7.678 -0.410 1.506 1.00 0.00 C HETATM 25 C UNL 1 0.354 -1.430 4.497 1.00 0.00 C HETATM 26 C UNL 1 0.594 -2.508 5.634 1.00 0.00 C HETATM 27 N UNL 1 1.185 -1.890 6.742 1.00 0.00 N HETATM 28 N UNL 1 1.273 -0.539 6.405 1.00 0.00 N HETATM 29 C UNL 1 0.174 -0.467 5.457 1.00 0.00 C HETATM 30 C UNL 1 2.712 -0.395 6.002 1.00 0.00 C HETATM 31 N UNL 1 -1.201 -0.380 5.958 1.00 0.00 N HETATM 32 O UNL 1 0.125 -3.653 5.622 1.00 0.00 O HETATM 33 C UNL 1 -1.583 -0.099 7.358 1.00 0.00 C HETATM 34 C UNL 1 -2.665 -1.141 7.694 1.00 0.00 C HETATM 35 C UNL 1 -3.431 -1.260 6.392 1.00 0.00 C HETATM 36 C UNL 1 -2.316 -1.178 5.348 1.00 0.00 C HETATM 37 H UNL 1 1.160 -0.601 -1.139 1.00 0.00 H HETATM 38 H UNL 1 5.202 0.232 -2.420 1.00 0.00 H HETATM 39 H UNL 1 4.217 3.100 -0.511 1.00 0.00 H HETATM 40 H UNL 1 2.764 3.159 0.526 1.00 0.00 H HETATM 41 H UNL 1 2.672 2.526 -1.123 1.00 0.00 H HETATM 42 H UNL 1 1.174 -1.722 1.347 1.00 0.00 H HETATM 43 H UNL 1 2.274 -0.854 3.718 1.00 0.00 H HETATM 44 H UNL 1 1.820 -2.496 3.330 1.00 0.00 H HETATM 45 H UNL 1 5.698 -0.439 2.404 1.00 0.00 H HETATM 46 H UNL 1 6.164 1.074 1.634 1.00 0.00 H HETATM 47 H UNL 1 4.468 -2.037 -0.617 1.00 0.00 H HETATM 48 H UNL 1 4.439 -2.829 1.567 1.00 0.00 H HETATM 49 H UNL 1 6.151 -2.672 1.808 1.00 0.00 H HETATM 50 H UNL 1 4.655 -4.794 0.312 1.00 0.00 H HETATM 51 H UNL 1 5.926 -4.925 1.516 1.00 0.00 H HETATM 52 H UNL 1 7.662 -4.395 -0.099 1.00 0.00 H HETATM 53 H UNL 1 5.394 -3.753 -2.064 1.00 0.00 H HETATM 54 H UNL 1 7.114 -3.695 -2.455 1.00 0.00 H HETATM 55 H UNL 1 6.516 -1.488 -1.947 1.00 0.00 H HETATM 56 H UNL 1 7.520 -2.072 -0.643 1.00 0.00 H HETATM 57 H UNL 1 7.204 -5.684 -3.056 1.00 0.00 H HETATM 58 H UNL 1 7.630 -7.253 -2.448 1.00 0.00 H HETATM 59 H UNL 1 8.583 -5.847 -1.935 1.00 0.00 H HETATM 60 H UNL 1 6.302 -6.990 0.836 1.00 0.00 H HETATM 61 H UNL 1 8.024 -6.777 0.428 1.00 0.00 H HETATM 62 H UNL 1 7.028 -7.995 -0.391 1.00 0.00 H HETATM 63 H UNL 1 7.825 -1.492 1.572 1.00 0.00 H HETATM 64 H UNL 1 8.208 0.031 2.355 1.00 0.00 H HETATM 65 H UNL 1 8.162 -0.074 0.583 1.00 0.00 H HETATM 66 H UNL 1 0.953 -2.120 7.701 1.00 0.00 H HETATM 67 H UNL 1 3.363 -0.379 6.882 1.00 0.00 H HETATM 68 H UNL 1 2.923 0.473 5.369 1.00 0.00 H HETATM 69 H UNL 1 3.064 -1.299 5.461 1.00 0.00 H HETATM 70 H UNL 1 -2.029 0.902 7.415 1.00 0.00 H HETATM 71 H UNL 1 -0.761 -0.158 8.076 1.00 0.00 H HETATM 72 H UNL 1 -3.312 -0.846 8.527 1.00 0.00 H HETATM 73 H UNL 1 -2.207 -2.105 7.948 1.00 0.00 H HETATM 74 H UNL 1 -4.133 -0.426 6.277 1.00 0.00 H HETATM 75 H UNL 1 -3.998 -2.194 6.322 1.00 0.00 H HETATM 76 H UNL 1 -2.669 -0.728 4.416 1.00 0.00 H HETATM 77 H UNL 1 -2.008 -2.208 5.140 1.00 0.00 H CONECT 1 2 6 37 CONECT 2 1 3 7 CONECT 3 2 4 38 CONECT 4 3 5 13 CONECT 5 4 6 8 CONECT 6 5 1 9 CONECT 7 2 CONECT 8 5 39 40 41 CONECT 9 6 10 11 CONECT 10 9 12 42 CONECT 11 9 CONECT 12 10 25 43 44 CONECT 13 4 14 15 CONECT 14 13 24 45 46 CONECT 15 13 16 20 47 CONECT 16 15 17 48 49 CONECT 17 16 18 50 51 CONECT 18 17 19 21 52 CONECT 19 18 20 53 54 CONECT 20 19 15 55 56 CONECT 21 18 22 23 CONECT 22 21 57 58 59 CONECT 23 21 60 61 62 CONECT 24 14 63 64 65 CONECT 25 12 26 29 CONECT 26 25 27 32 CONECT 27 26 28 66 CONECT 28 27 29 30 CONECT 29 28 25 31 CONECT 30 28 67 68 69 CONECT 31 29 33 36 CONECT 32 26 CONECT 33 31 34 70 71 CONECT 34 33 35 72 73 CONECT 35 34 36 74 75 CONECT 36 35 31 76 77 CONECT 37 1 CONECT 38 3 CONECT 39 8 CONECT 40 8 CONECT 41 8 CONECT 42 10 CONECT 43 12 CONECT 44 12 CONECT 45 14 CONECT 46 14 CONECT 47 15 CONECT 48 16 CONECT 49 16 CONECT 50 17 CONECT 51 17 CONECT 52 18 CONECT 53 19 CONECT 54 19 CONECT 55 20 CONECT 56 20 CONECT 57 22 CONECT 58 22 CONECT 59 22 CONECT 60 23 CONECT 61 23 CONECT 62 23 CONECT 63 24 CONECT 64 24 CONECT 65 24 CONECT 66 27 CONECT 67 30 CONECT 68 30 CONECT 69 30 CONECT 70 33 CONECT 71 33 CONECT 72 34 CONECT 73 34 CONECT 74 35 CONECT 75 35 CONECT 76 36 CONECT 77 36 MASTER 0 0 0 0 0 0 0 0 77 0 77 0 END M END $$$$