D0HJ2J AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.544 -0.289 -0.925 1.00 0.00 C HETATM 2 N UNL 1 2.464 -1.342 -0.867 1.00 0.00 N HETATM 3 C UNL 1 2.347 -2.724 -0.506 1.00 0.00 C HETATM 4 C UNL 1 2.737 -2.657 1.187 1.00 0.00 C HETATM 5 N UNL 1 3.951 -2.940 1.884 1.00 0.00 N HETATM 6 C UNL 1 5.407 -3.430 1.725 1.00 0.00 C HETATM 7 C UNL 1 5.660 -4.850 1.139 1.00 0.00 C HETATM 8 N UNL 1 5.420 -6.079 1.793 1.00 0.00 N HETATM 9 C UNL 1 4.213 -6.895 1.362 1.00 0.00 C HETATM 10 C UNL 1 3.709 -6.195 0.158 1.00 0.00 C HETATM 11 N UNL 1 4.193 -6.245 -1.079 1.00 0.00 N HETATM 12 C UNL 1 3.382 -5.525 -2.106 1.00 0.00 C HETATM 13 C UNL 1 2.116 -6.396 -1.985 1.00 0.00 C HETATM 14 O UNL 1 0.905 -5.724 -1.984 1.00 0.00 O HETATM 15 C UNL 1 -0.760 -5.559 -2.172 1.00 0.00 C HETATM 16 O UNL 1 0.440 -0.221 -0.408 1.00 0.00 O HETATM 17 C UNL 1 2.177 0.757 -1.808 1.00 0.00 C HETATM 18 C UNL 1 1.982 2.086 -1.724 1.00 0.00 C HETATM 19 N UNL 1 3.063 2.939 -1.725 1.00 0.00 N HETATM 20 C UNL 1 4.253 2.406 -1.407 1.00 0.00 C HETATM 21 C UNL 1 4.302 1.018 -1.303 1.00 0.00 C HETATM 22 N UNL 1 3.459 0.357 -2.052 1.00 0.00 N HETATM 23 C UNL 1 5.199 3.120 -0.720 1.00 0.00 C HETATM 24 C UNL 1 5.962 2.497 0.285 1.00 0.00 C HETATM 25 C UNL 1 5.903 1.119 0.451 1.00 0.00 C HETATM 26 C UNL 1 4.974 0.417 -0.232 1.00 0.00 C HETATM 27 O UNL 1 1.939 -2.068 1.943 1.00 0.00 O HETATM 28 C UNL 1 6.385 -3.270 2.942 1.00 0.00 C HETATM 29 O UNL 1 6.041 -4.856 -0.037 1.00 0.00 O HETATM 30 C UNL 1 6.203 -6.511 2.933 1.00 0.00 C HETATM 31 O UNL 1 2.853 -5.278 0.374 1.00 0.00 O HETATM 32 C UNL 1 5.154 -7.281 -1.580 1.00 0.00 C HETATM 33 O UNL 1 2.286 -7.615 -1.843 1.00 0.00 O HETATM 34 C UNL 1 0.994 -3.118 -1.449 1.00 0.00 C HETATM 35 C UNL 1 4.224 -5.066 -3.361 1.00 0.00 C HETATM 36 C UNL 1 5.423 -4.209 -2.894 1.00 0.00 C HETATM 37 C UNL 1 3.534 -4.157 -4.384 1.00 0.00 C HETATM 38 O UNL 1 1.153 -3.846 -2.966 1.00 0.00 O HETATM 39 C UNL 1 0.200 -4.160 -4.040 1.00 0.00 C HETATM 40 O UNL 1 -0.624 -3.337 -4.435 1.00 0.00 O HETATM 41 C UNL 1 0.137 -5.905 -4.597 1.00 0.00 C HETATM 42 N UNL 1 0.633 -7.102 -3.750 1.00 0.00 N HETATM 43 C UNL 1 0.013 -7.962 -2.598 1.00 0.00 C HETATM 44 C UNL 1 -0.553 -7.425 -0.830 1.00 0.00 C HETATM 45 N UNL 1 -1.914 -6.097 -0.413 1.00 0.00 N HETATM 46 C UNL 1 -1.946 -5.422 0.733 1.00 0.00 C HETATM 47 C UNL 1 -2.260 -6.549 1.619 1.00 0.00 C HETATM 48 N UNL 1 -2.549 -7.934 0.532 1.00 0.00 N HETATM 49 C UNL 1 -0.619 -6.684 -5.842 1.00 0.00 C HETATM 50 C UNL 1 -0.315 -6.113 -7.227 1.00 0.00 C HETATM 51 C UNL 1 -0.318 -8.246 -5.972 1.00 0.00 C HETATM 52 C UNL 1 1.949 -7.480 -4.346 1.00 0.00 C HETATM 53 O UNL 1 0.145 -9.193 -2.737 1.00 0.00 O HETATM 54 C UNL 1 -3.680 -5.911 -0.559 1.00 0.00 C HETATM 55 O UNL 1 -2.059 -4.215 0.848 1.00 0.00 O HETATM 56 C UNL 1 -2.842 -8.023 -1.169 1.00 0.00 C HETATM 57 O UNL 1 -3.436 -9.029 -1.557 1.00 0.00 O HETATM 58 C UNL 1 -2.180 -6.711 -2.455 1.00 0.00 C HETATM 59 N UNL 1 -2.755 -6.895 -3.808 1.00 0.00 N HETATM 60 C UNL 1 -3.661 -6.190 -4.631 1.00 0.00 C HETATM 61 O UNL 1 -4.066 -6.873 -5.588 1.00 0.00 O HETATM 62 C UNL 1 -4.170 -4.745 -4.594 1.00 0.00 C HETATM 63 C UNL 1 -3.961 -3.752 -3.658 1.00 0.00 C HETATM 64 N UNL 1 -4.564 -2.515 -3.689 1.00 0.00 N HETATM 65 C UNL 1 -5.501 -2.310 -4.644 1.00 0.00 C HETATM 66 C UNL 1 -5.750 -3.319 -5.569 1.00 0.00 C HETATM 67 N UNL 1 -5.063 -4.480 -5.589 1.00 0.00 N HETATM 68 C UNL 1 -6.339 -1.194 -4.592 1.00 0.00 C HETATM 69 C UNL 1 -7.423 -1.073 -5.461 1.00 0.00 C HETATM 70 C UNL 1 -7.559 -1.989 -6.485 1.00 0.00 C HETATM 71 C UNL 1 -6.852 -3.182 -6.395 1.00 0.00 C HETATM 72 C UNL 1 -1.001 -6.138 2.444 1.00 0.00 C HETATM 73 C UNL 1 3.987 -8.441 1.121 1.00 0.00 C HETATM 74 S UNL 1 1.921 -8.931 1.405 1.00 0.00 S HETATM 75 S UNL 1 4.940 -9.561 2.338 1.00 0.00 S HETATM 76 C UNL 1 5.721 -10.842 1.273 1.00 0.00 C HETATM 77 C UNL 1 0.761 -7.641 0.298 1.00 0.00 C HETATM 78 H UNL 1 3.251 -1.206 -1.491 1.00 0.00 H HETATM 79 H UNL 1 3.271 -3.134 -0.900 1.00 0.00 H HETATM 80 H UNL 1 3.862 -2.457 2.775 1.00 0.00 H HETATM 81 H UNL 1 5.832 -2.730 0.990 1.00 0.00 H HETATM 82 H UNL 1 3.539 -6.688 2.202 1.00 0.00 H HETATM 83 H UNL 1 3.095 -4.626 -1.644 1.00 0.00 H HETATM 84 H UNL 1 -1.096 -4.666 -2.674 1.00 0.00 H HETATM 85 H UNL 1 -0.772 -5.002 -1.256 1.00 0.00 H HETATM 86 H UNL 1 1.020 2.519 -1.466 1.00 0.00 H HETATM 87 H UNL 1 5.231 4.187 -0.878 1.00 0.00 H HETATM 88 H UNL 1 6.424 3.112 1.018 1.00 0.00 H HETATM 89 H UNL 1 6.555 0.594 1.138 1.00 0.00 H HETATM 90 H UNL 1 4.502 -0.441 0.234 1.00 0.00 H HETATM 91 H UNL 1 5.976 -3.616 3.897 1.00 0.00 H HETATM 92 H UNL 1 6.742 -2.243 3.085 1.00 0.00 H HETATM 93 H UNL 1 7.315 -3.844 2.764 1.00 0.00 H HETATM 94 H UNL 1 6.600 -5.683 3.518 1.00 0.00 H HETATM 95 H UNL 1 7.064 -7.073 2.544 1.00 0.00 H HETATM 96 H UNL 1 5.614 -7.129 3.607 1.00 0.00 H HETATM 97 H UNL 1 5.830 -7.620 -0.794 1.00 0.00 H HETATM 98 H UNL 1 5.794 -6.908 -2.396 1.00 0.00 H HETATM 99 H UNL 1 4.635 -8.160 -1.973 1.00 0.00 H HETATM 100 H UNL 1 0.423 -2.241 -1.753 1.00 0.00 H HETATM 101 H UNL 1 0.352 -3.716 -0.820 1.00 0.00 H HETATM 102 H UNL 1 4.611 -5.937 -3.894 1.00 0.00 H HETATM 103 H UNL 1 5.068 -3.341 -2.319 1.00 0.00 H HETATM 104 H UNL 1 5.991 -3.827 -3.744 1.00 0.00 H HETATM 105 H UNL 1 6.126 -4.768 -2.291 1.00 0.00 H HETATM 106 H UNL 1 3.063 -3.295 -3.906 1.00 0.00 H HETATM 107 H UNL 1 2.819 -4.677 -5.016 1.00 0.00 H HETATM 108 H UNL 1 4.266 -3.728 -5.075 1.00 0.00 H HETATM 109 H UNL 1 1.007 -5.647 -5.206 1.00 0.00 H HETATM 110 H UNL 1 -0.950 -8.407 -0.577 1.00 0.00 H HETATM 111 H UNL 1 -3.214 -6.363 2.126 1.00 0.00 H HETATM 112 H UNL 1 -2.988 -8.723 0.976 1.00 0.00 H HETATM 113 H UNL 1 -1.686 -6.628 -5.752 1.00 0.00 H HETATM 114 H UNL 1 0.760 -6.150 -7.421 1.00 0.00 H HETATM 115 H UNL 1 -0.678 -5.094 -7.298 1.00 0.00 H HETATM 116 H UNL 1 -0.813 -6.720 -7.994 1.00 0.00 H HETATM 117 H UNL 1 0.701 -8.456 -6.316 1.00 0.00 H HETATM 118 H UNL 1 -0.949 -8.735 -6.720 1.00 0.00 H HETATM 119 H UNL 1 -0.482 -8.810 -5.051 1.00 0.00 H HETATM 120 H UNL 1 1.986 -7.455 -5.432 1.00 0.00 H HETATM 121 H UNL 1 2.451 -8.348 -3.937 1.00 0.00 H HETATM 122 H UNL 1 2.565 -6.605 -4.169 1.00 0.00 H HETATM 123 H UNL 1 -4.145 -5.842 -1.536 1.00 0.00 H HETATM 124 H UNL 1 -4.014 -4.985 -0.063 1.00 0.00 H HETATM 125 H UNL 1 -4.267 -6.704 -0.052 1.00 0.00 H HETATM 126 H UNL 1 -2.794 -5.842 -2.386 1.00 0.00 H HETATM 127 H UNL 1 -2.749 -7.866 -4.135 1.00 0.00 H HETATM 128 H UNL 1 -3.365 -3.883 -2.770 1.00 0.00 H HETATM 129 H UNL 1 -6.191 -0.436 -3.829 1.00 0.00 H HETATM 130 H UNL 1 -8.183 -0.308 -5.308 1.00 0.00 H HETATM 131 H UNL 1 -8.220 -1.794 -7.326 1.00 0.00 H HETATM 132 H UNL 1 -7.274 -4.089 -6.827 1.00 0.00 H HETATM 133 H UNL 1 -0.126 -5.842 1.832 1.00 0.00 H HETATM 134 H UNL 1 -0.686 -6.792 3.234 1.00 0.00 H HETATM 135 H UNL 1 -1.228 -5.151 2.921 1.00 0.00 H HETATM 136 H UNL 1 4.247 -8.804 0.129 1.00 0.00 H HETATM 137 H UNL 1 6.318 -11.516 1.909 1.00 0.00 H HETATM 138 H UNL 1 6.413 -10.433 0.528 1.00 0.00 H HETATM 139 H UNL 1 4.963 -11.458 0.786 1.00 0.00 H HETATM 140 H UNL 1 1.212 -8.278 -0.433 1.00 0.00 H HETATM 141 H UNL 1 1.196 -6.684 0.487 1.00 0.00 H CONECT 1 2 16 17 CONECT 2 1 3 78 CONECT 3 2 4 34 79 CONECT 4 3 5 27 CONECT 5 4 6 80 CONECT 6 5 7 28 81 CONECT 7 6 8 29 CONECT 8 7 9 30 CONECT 9 8 10 73 82 CONECT 10 9 11 31 CONECT 11 10 12 32 CONECT 12 11 13 35 83 CONECT 13 12 14 33 CONECT 14 13 15 CONECT 15 14 58 84 85 CONECT 16 1 CONECT 17 1 18 22 CONECT 18 17 19 86 CONECT 19 18 20 CONECT 20 19 21 23 CONECT 21 20 22 26 CONECT 22 21 17 CONECT 23 20 24 87 CONECT 24 23 25 88 CONECT 25 24 26 89 CONECT 26 25 21 90 CONECT 27 4 CONECT 28 6 91 92 93 CONECT 29 7 CONECT 30 8 94 95 96 CONECT 31 10 CONECT 32 11 97 98 99 CONECT 33 13 CONECT 34 3 38 100 101 CONECT 35 36 37 12 102 CONECT 36 35 103 104 105 CONECT 37 35 106 107 108 CONECT 38 34 39 CONECT 39 38 40 41 CONECT 40 39 CONECT 41 39 42 49 109 CONECT 42 41 43 52 CONECT 43 42 44 53 CONECT 44 43 45 77 110 CONECT 45 44 46 54 CONECT 46 45 47 55 CONECT 47 46 48 72 111 CONECT 48 47 56 112 CONECT 49 41 50 51 113 CONECT 50 49 114 115 116 CONECT 51 49 117 118 119 CONECT 52 42 120 121 122 CONECT 53 43 CONECT 54 45 123 124 125 CONECT 55 46 CONECT 56 48 57 58 CONECT 57 56 CONECT 58 56 15 59 126 CONECT 59 60 58 127 CONECT 60 59 61 62 CONECT 61 60 CONECT 62 60 63 67 CONECT 63 62 64 128 CONECT 64 63 65 CONECT 65 64 66 68 CONECT 66 65 67 71 CONECT 67 66 62 CONECT 68 65 69 129 CONECT 69 68 70 130 CONECT 70 69 71 131 CONECT 71 70 66 132 CONECT 72 47 133 134 135 CONECT 73 9 74 75 136 CONECT 74 73 77 CONECT 75 73 76 CONECT 76 75 137 138 139 CONECT 77 74 44 140 141 CONECT 78 2 CONECT 79 3 CONECT 80 5 CONECT 81 6 CONECT 82 9 CONECT 83 12 CONECT 84 15 CONECT 85 15 CONECT 86 18 CONECT 87 23 CONECT 88 24 CONECT 89 25 CONECT 90 26 CONECT 91 28 CONECT 92 28 CONECT 93 28 CONECT 94 30 CONECT 95 30 CONECT 96 30 CONECT 97 32 CONECT 98 32 CONECT 99 32 CONECT 100 34 CONECT 101 34 CONECT 102 35 CONECT 103 36 CONECT 104 36 CONECT 105 36 CONECT 106 37 CONECT 107 37 CONECT 108 37 CONECT 109 41 CONECT 110 44 CONECT 111 47 CONECT 112 48 CONECT 113 49 CONECT 114 50 CONECT 115 50 CONECT 116 50 CONECT 117 51 CONECT 118 51 CONECT 119 51 CONECT 120 52 CONECT 121 52 CONECT 122 52 CONECT 123 54 CONECT 124 54 CONECT 125 54 CONECT 126 58 CONECT 127 59 CONECT 128 63 CONECT 129 68 CONECT 130 69 CONECT 131 70 CONECT 132 71 CONECT 133 72 CONECT 134 72 CONECT 135 72 CONECT 136 73 CONECT 137 76 CONECT 138 76 CONECT 139 76 CONECT 140 77 CONECT 141 77 MASTER 0 0 0 0 0 0 0 0 141 0 141 0 END M END $$$$