D0K3UO AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.949 0.310 -0.549 1.00 0.00 C HETATM 2 C UNL 1 0.571 -0.263 -0.655 1.00 0.00 C HETATM 3 C UNL 1 0.023 -1.120 0.264 1.00 0.00 C HETATM 4 C UNL 1 0.741 -1.728 1.295 1.00 0.00 C HETATM 5 C UNL 1 1.185 -0.894 2.278 1.00 0.00 C HETATM 6 N UNL 1 0.993 0.501 2.204 1.00 0.00 N HETATM 7 C UNL 1 1.555 1.254 0.838 1.00 0.00 C HETATM 8 C UNL 1 0.158 1.018 3.213 1.00 0.00 C HETATM 9 C UNL 1 -0.339 2.420 3.171 1.00 0.00 C HETATM 10 O UNL 1 -0.241 0.321 4.139 1.00 0.00 O HETATM 11 C UNL 1 -1.690 2.680 3.496 1.00 0.00 C HETATM 12 C UNL 1 -2.215 3.988 3.516 1.00 0.00 C HETATM 13 C UNL 1 -1.384 5.077 3.259 1.00 0.00 C HETATM 14 C UNL 1 -0.040 4.835 2.930 1.00 0.00 C HETATM 15 C UNL 1 0.480 3.521 2.892 1.00 0.00 C HETATM 16 O UNL 1 -1.746 6.400 3.302 1.00 0.00 O HETATM 17 C UNL 1 1.408 -3.074 1.103 1.00 0.00 C HETATM 18 O UNL 1 1.381 -3.654 0.022 1.00 0.00 O HETATM 19 O UNL 1 2.142 -3.478 2.179 1.00 0.00 O HETATM 20 C UNL 1 3.021 -4.604 1.958 1.00 0.00 C HETATM 21 C UNL 1 4.415 -4.107 1.571 1.00 0.00 C HETATM 22 C UNL 1 3.111 -5.417 3.244 1.00 0.00 C HETATM 23 C UNL 1 2.221 0.313 -2.112 1.00 0.00 C HETATM 24 C UNL 1 3.434 0.199 -0.176 1.00 0.00 C HETATM 25 C UNL 1 -0.564 0.385 -1.307 1.00 0.00 C HETATM 26 N UNL 1 -1.682 0.137 -0.614 1.00 0.00 N HETATM 27 N UNL 1 -1.249 -0.596 0.433 1.00 0.00 N HETATM 28 C UNL 1 -0.650 1.380 -2.430 1.00 0.00 C HETATM 29 C UNL 1 -2.965 6.724 3.984 1.00 0.00 C HETATM 30 C UNL 1 -2.935 8.220 4.400 1.00 0.00 C HETATM 31 N UNL 1 -4.083 8.649 5.366 1.00 0.00 N1+ HETATM 32 C UNL 1 -5.481 8.586 4.694 1.00 0.00 C HETATM 33 C UNL 1 -5.686 9.724 3.674 1.00 0.00 C HETATM 34 O UNL 1 -5.440 11.017 4.234 1.00 0.00 O HETATM 35 C UNL 1 -4.112 11.133 4.749 1.00 0.00 C HETATM 36 C UNL 1 -3.897 10.119 5.871 1.00 0.00 C HETATM 37 C UNL 1 -4.046 7.776 6.625 1.00 0.00 C HETATM 38 H UNL 1 1.590 -1.272 3.202 1.00 0.00 H HETATM 39 H UNL 1 2.461 1.693 1.272 1.00 0.00 H HETATM 40 H UNL 1 0.878 2.062 0.569 1.00 0.00 H HETATM 41 H UNL 1 -2.342 1.847 3.752 1.00 0.00 H HETATM 42 H UNL 1 -3.267 4.104 3.752 1.00 0.00 H HETATM 43 H UNL 1 0.622 5.672 2.733 1.00 0.00 H HETATM 44 H UNL 1 1.538 3.385 2.690 1.00 0.00 H HETATM 45 H UNL 1 2.633 -5.256 1.170 1.00 0.00 H HETATM 46 H UNL 1 4.792 -3.374 2.295 1.00 0.00 H HETATM 47 H UNL 1 4.402 -3.616 0.594 1.00 0.00 H HETATM 48 H UNL 1 5.127 -4.939 1.522 1.00 0.00 H HETATM 49 H UNL 1 3.396 -4.788 4.094 1.00 0.00 H HETATM 50 H UNL 1 3.846 -6.224 3.145 1.00 0.00 H HETATM 51 H UNL 1 2.142 -5.865 3.481 1.00 0.00 H HETATM 52 H UNL 1 1.462 -0.239 -2.705 1.00 0.00 H HETATM 53 H UNL 1 3.071 -0.333 -2.409 1.00 0.00 H HETATM 54 H UNL 1 2.369 1.301 -2.525 1.00 0.00 H HETATM 55 H UNL 1 3.694 -0.045 0.853 1.00 0.00 H HETATM 56 H UNL 1 3.791 1.249 -0.327 1.00 0.00 H HETATM 57 H UNL 1 4.125 -0.351 -0.824 1.00 0.00 H HETATM 58 H UNL 1 -1.753 -0.455 1.305 1.00 0.00 H HETATM 59 H UNL 1 -1.122 2.319 -2.117 1.00 0.00 H HETATM 60 H UNL 1 -1.254 0.956 -3.239 1.00 0.00 H HETATM 61 H UNL 1 0.308 1.661 -2.872 1.00 0.00 H HETATM 62 H UNL 1 -3.058 6.099 4.874 1.00 0.00 H HETATM 63 H UNL 1 -3.808 6.540 3.308 1.00 0.00 H HETATM 64 H UNL 1 -2.981 8.860 3.513 1.00 0.00 H HETATM 65 H UNL 1 -1.994 8.446 4.916 1.00 0.00 H HETATM 66 H UNL 1 -6.213 8.682 5.505 1.00 0.00 H HETATM 67 H UNL 1 -5.592 7.603 4.228 1.00 0.00 H HETATM 68 H UNL 1 -6.729 9.719 3.339 1.00 0.00 H HETATM 69 H UNL 1 -5.061 9.594 2.785 1.00 0.00 H HETATM 70 H UNL 1 -4.003 12.146 5.152 1.00 0.00 H HETATM 71 H UNL 1 -3.383 11.023 3.940 1.00 0.00 H HETATM 72 H UNL 1 -4.674 10.271 6.633 1.00 0.00 H HETATM 73 H UNL 1 -2.910 10.195 6.334 1.00 0.00 H HETATM 74 H UNL 1 -3.022 7.793 7.013 1.00 0.00 H HETATM 75 H UNL 1 -4.354 6.761 6.366 1.00 0.00 H HETATM 76 H UNL 1 -4.736 8.187 7.366 1.00 0.00 H CONECT 1 2 7 23 24 CONECT 2 1 3 25 CONECT 3 2 4 27 CONECT 4 3 5 17 CONECT 5 4 6 38 CONECT 6 5 7 8 CONECT 7 6 1 39 40 CONECT 8 6 9 10 CONECT 9 8 11 15 CONECT 10 8 CONECT 11 9 12 41 CONECT 12 11 13 42 CONECT 13 12 14 16 CONECT 14 13 15 43 CONECT 15 14 9 44 CONECT 16 13 29 CONECT 17 4 18 19 CONECT 18 17 CONECT 19 17 20 CONECT 20 19 21 22 45 CONECT 21 20 46 47 48 CONECT 22 20 49 50 51 CONECT 23 1 52 53 54 CONECT 24 1 55 56 57 CONECT 25 2 26 28 CONECT 26 25 27 CONECT 27 26 3 58 CONECT 28 25 59 60 61 CONECT 29 16 30 62 63 CONECT 30 29 31 64 65 CONECT 31 30 32 36 37 CONECT 32 31 33 66 67 CONECT 33 32 34 68 69 CONECT 34 33 35 CONECT 35 34 36 70 71 CONECT 36 35 31 72 73 CONECT 37 31 74 75 76 CONECT 38 5 CONECT 39 7 CONECT 40 7 CONECT 41 11 CONECT 42 12 CONECT 43 14 CONECT 44 15 CONECT 45 20 CONECT 46 21 CONECT 47 21 CONECT 48 21 CONECT 49 22 CONECT 50 22 CONECT 51 22 CONECT 52 23 CONECT 53 23 CONECT 54 23 CONECT 55 24 CONECT 56 24 CONECT 57 24 CONECT 58 27 CONECT 59 28 CONECT 60 28 CONECT 61 28 CONECT 62 29 CONECT 63 29 CONECT 64 30 CONECT 65 30 CONECT 66 32 CONECT 67 32 CONECT 68 33 CONECT 69 33 CONECT 70 35 CONECT 71 35 CONECT 72 36 CONECT 73 36 CONECT 74 37 CONECT 75 37 CONECT 76 37 MASTER 0 0 0 0 0 0 0 0 76 0 76 0 END M END $$$$