D04NUS AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 -0.216 -2.990 -0.185 1.00 0.00 C HETATM 2 C UNL 1 -0.542 -3.668 1.143 1.00 0.00 C HETATM 3 N UNL 1 -0.067 -2.927 2.150 1.00 0.00 N HETATM 4 C UNL 1 1.069 -2.112 1.426 1.00 0.00 C HETATM 5 N UNL 1 0.321 -1.754 0.179 1.00 0.00 N HETATM 6 O UNL 1 -0.556 -3.411 -1.263 1.00 0.00 O HETATM 7 C UNL 1 -0.834 -0.703 0.354 1.00 0.00 C HETATM 8 C UNL 1 -0.700 0.318 1.562 1.00 0.00 C HETATM 9 C UNL 1 -1.326 0.009 -0.998 1.00 0.00 C HETATM 10 C UNL 1 -1.993 -0.822 -2.155 1.00 0.00 C HETATM 11 C UNL 1 -2.480 -0.024 -3.440 1.00 0.00 C HETATM 12 C UNL 1 -1.297 0.664 -4.144 1.00 0.00 C HETATM 13 C UNL 1 -3.118 -0.972 -4.493 1.00 0.00 C HETATM 14 C UNL 1 -3.545 1.036 -3.102 1.00 0.00 C HETATM 15 C UNL 1 -1.585 -4.840 1.230 1.00 0.00 C HETATM 16 C UNL 1 -1.579 -6.058 0.229 1.00 0.00 C HETATM 17 C UNL 1 -2.866 -6.950 0.241 1.00 0.00 C HETATM 18 C UNL 1 -4.159 -6.143 0.252 1.00 0.00 C HETATM 19 C UNL 1 -4.103 -5.162 1.410 1.00 0.00 C HETATM 20 C UNL 1 -2.964 -4.175 1.186 1.00 0.00 C HETATM 21 C UNL 1 2.072 -0.919 1.940 1.00 0.00 C HETATM 22 C UNL 1 3.540 -1.134 2.667 1.00 0.00 C HETATM 23 C UNL 1 4.315 -2.505 2.607 1.00 0.00 C HETATM 24 C UNL 1 3.293 -3.636 2.519 1.00 0.00 C HETATM 25 C UNL 1 2.132 -3.286 1.534 1.00 0.00 C HETATM 26 C UNL 1 5.428 -2.861 3.720 1.00 0.00 C HETATM 27 C UNL 1 4.967 -2.625 5.173 1.00 0.00 C HETATM 28 C UNL 1 5.815 -4.367 3.599 1.00 0.00 C HETATM 29 C UNL 1 6.753 -2.088 3.534 1.00 0.00 C HETATM 30 C UNL 1 -0.368 1.675 1.424 1.00 0.00 C HETATM 31 C UNL 1 -0.251 2.535 2.560 1.00 0.00 C HETATM 32 C UNL 1 -0.435 2.083 3.882 1.00 0.00 C HETATM 33 C UNL 1 -0.765 0.746 4.037 1.00 0.00 C HETATM 34 C UNL 1 -0.938 -0.099 2.900 1.00 0.00 C HETATM 35 C UNL 1 -0.299 3.063 5.024 1.00 0.00 C HETATM 36 O UNL 1 -0.117 4.253 4.757 1.00 0.00 O HETATM 37 N UNL 1 -0.392 2.652 6.354 1.00 0.00 N HETATM 38 C UNL 1 -0.281 3.666 7.408 1.00 0.00 C HETATM 39 C UNL 1 -0.456 3.197 8.815 1.00 0.00 C HETATM 40 N UNL 1 -0.492 4.113 9.855 1.00 0.00 N HETATM 41 N UNL 1 -0.628 3.394 10.969 1.00 0.00 N HETATM 42 N UNL 1 -0.659 2.140 10.581 1.00 0.00 N HETATM 43 N UNL 1 -0.551 1.937 9.244 1.00 0.00 N HETATM 44 H UNL 1 -1.715 -1.294 0.650 1.00 0.00 H HETATM 45 H UNL 1 -0.491 0.583 -1.409 1.00 0.00 H HETATM 46 H UNL 1 -2.092 0.734 -0.691 1.00 0.00 H HETATM 47 H UNL 1 -2.854 -1.368 -1.746 1.00 0.00 H HETATM 48 H UNL 1 -1.278 -1.568 -2.510 1.00 0.00 H HETATM 49 H UNL 1 -0.559 -0.074 -4.478 1.00 0.00 H HETATM 50 H UNL 1 -0.796 1.383 -3.492 1.00 0.00 H HETATM 51 H UNL 1 -1.632 1.211 -5.035 1.00 0.00 H HETATM 52 H UNL 1 -2.408 -1.727 -4.847 1.00 0.00 H HETATM 53 H UNL 1 -3.445 -0.407 -5.379 1.00 0.00 H HETATM 54 H UNL 1 -4.003 -1.487 -4.104 1.00 0.00 H HETATM 55 H UNL 1 -3.181 1.764 -2.374 1.00 0.00 H HETATM 56 H UNL 1 -4.455 0.572 -2.706 1.00 0.00 H HETATM 57 H UNL 1 -3.836 1.599 -3.999 1.00 0.00 H HETATM 58 H UNL 1 -1.438 -5.284 2.224 1.00 0.00 H HETATM 59 H UNL 1 -0.735 -6.726 0.450 1.00 0.00 H HETATM 60 H UNL 1 -1.435 -5.723 -0.803 1.00 0.00 H HETATM 61 H UNL 1 -2.881 -7.628 -0.625 1.00 0.00 H HETATM 62 H UNL 1 -2.863 -7.603 1.125 1.00 0.00 H HETATM 63 H UNL 1 -5.033 -6.800 0.356 1.00 0.00 H HETATM 64 H UNL 1 -4.282 -5.611 -0.700 1.00 0.00 H HETATM 65 H UNL 1 -3.954 -5.710 2.350 1.00 0.00 H HETATM 66 H UNL 1 -5.052 -4.624 1.494 1.00 0.00 H HETATM 67 H UNL 1 -3.014 -3.383 1.938 1.00 0.00 H HETATM 68 H UNL 1 -3.097 -3.697 0.206 1.00 0.00 H HETATM 69 H UNL 1 1.580 -0.139 2.514 1.00 0.00 H HETATM 70 H UNL 1 2.367 -0.416 0.999 1.00 0.00 H HETATM 71 H UNL 1 3.436 -0.806 3.707 1.00 0.00 H HETATM 72 H UNL 1 4.218 -0.385 2.217 1.00 0.00 H HETATM 73 H UNL 1 4.853 -2.510 1.648 1.00 0.00 H HETATM 74 H UNL 1 2.935 -3.849 3.554 1.00 0.00 H HETATM 75 H UNL 1 3.713 -4.589 2.196 1.00 0.00 H HETATM 76 H UNL 1 2.777 -2.927 0.729 1.00 0.00 H HETATM 77 H UNL 1 1.828 -3.046 2.557 1.00 0.00 H HETATM 78 H UNL 1 3.994 -3.078 5.379 1.00 0.00 H HETATM 79 H UNL 1 4.910 -1.559 5.414 1.00 0.00 H HETATM 80 H UNL 1 5.680 -3.070 5.883 1.00 0.00 H HETATM 81 H UNL 1 4.998 -5.024 3.919 1.00 0.00 H HETATM 82 H UNL 1 6.673 -4.628 4.228 1.00 0.00 H HETATM 83 H UNL 1 6.078 -4.618 2.565 1.00 0.00 H HETATM 84 H UNL 1 6.647 -1.020 3.742 1.00 0.00 H HETATM 85 H UNL 1 7.159 -2.217 2.526 1.00 0.00 H HETATM 86 H UNL 1 7.518 -2.471 4.229 1.00 0.00 H HETATM 87 H UNL 1 -0.193 2.113 0.443 1.00 0.00 H HETATM 88 H UNL 1 -0.010 3.585 2.390 1.00 0.00 H HETATM 89 H UNL 1 -0.899 0.309 5.024 1.00 0.00 H HETATM 90 H UNL 1 -1.209 -1.133 3.107 1.00 0.00 H HETATM 91 H UNL 1 -0.463 1.685 6.632 1.00 0.00 H HETATM 92 H UNL 1 -1.040 4.435 7.218 1.00 0.00 H HETATM 93 H UNL 1 0.701 4.144 7.324 1.00 0.00 H HETATM 94 H UNL 1 -0.756 1.382 11.254 1.00 0.00 H CONECT 1 2 5 6 CONECT 2 1 3 15 CONECT 3 2 4 CONECT 4 3 5 21 25 CONECT 5 4 1 7 CONECT 6 1 CONECT 7 5 8 9 44 CONECT 8 7 30 34 CONECT 9 7 10 45 46 CONECT 10 9 11 47 48 CONECT 11 10 12 13 14 CONECT 12 11 49 50 51 CONECT 13 11 52 53 54 CONECT 14 11 55 56 57 CONECT 15 2 16 20 58 CONECT 16 15 17 59 60 CONECT 17 16 18 61 62 CONECT 18 17 19 63 64 CONECT 19 18 20 65 66 CONECT 20 19 15 67 68 CONECT 21 4 22 69 70 CONECT 22 21 23 71 72 CONECT 23 22 24 26 73 CONECT 24 23 25 74 75 CONECT 25 24 4 76 77 CONECT 26 23 27 28 29 CONECT 27 26 78 79 80 CONECT 28 26 81 82 83 CONECT 29 26 84 85 86 CONECT 30 8 31 87 CONECT 31 30 32 88 CONECT 32 31 33 35 CONECT 33 32 34 89 CONECT 34 33 8 90 CONECT 35 32 36 37 CONECT 36 35 CONECT 37 35 38 91 CONECT 38 37 39 92 93 CONECT 39 38 40 43 CONECT 40 39 41 CONECT 41 40 42 CONECT 42 41 43 94 CONECT 43 42 39 CONECT 44 7 CONECT 45 9 CONECT 46 9 CONECT 47 10 CONECT 48 10 CONECT 49 12 CONECT 50 12 CONECT 51 12 CONECT 52 13 CONECT 53 13 CONECT 54 13 CONECT 55 14 CONECT 56 14 CONECT 57 14 CONECT 58 15 CONECT 59 16 CONECT 60 16 CONECT 61 17 CONECT 62 17 CONECT 63 18 CONECT 64 18 CONECT 65 19 CONECT 66 19 CONECT 67 20 CONECT 68 20 CONECT 69 21 CONECT 70 21 CONECT 71 22 CONECT 72 22 CONECT 73 23 CONECT 74 24 CONECT 75 24 CONECT 76 25 CONECT 77 25 CONECT 78 27 CONECT 79 27 CONECT 80 27 CONECT 81 28 CONECT 82 28 CONECT 83 28 CONECT 84 29 CONECT 85 29 CONECT 86 29 CONECT 87 30 CONECT 88 31 CONECT 89 33 CONECT 90 34 CONECT 91 37 CONECT 92 38 CONECT 93 38 CONECT 94 42 MASTER 0 0 0 0 0 0 0 0 94 0 94 0 END M END $$$$