COMPND HMDB0292145 HETATM 1 C1 UNL 1 16.769 -2.847 -0.896 1.00 0.00 C HETATM 2 C2 UNL 1 15.263 -2.762 -0.796 1.00 0.00 C HETATM 3 C3 UNL 1 14.786 -2.768 0.619 1.00 0.00 C HETATM 4 C4 UNL 1 15.310 -1.649 1.469 1.00 0.00 C HETATM 5 C5 UNL 1 14.895 -0.318 0.878 1.00 0.00 C HETATM 6 C6 UNL 1 13.445 -0.141 0.774 1.00 0.00 C HETATM 7 C7 UNL 1 12.794 0.816 1.391 1.00 0.00 C HETATM 8 C8 UNL 1 13.396 1.802 2.238 1.00 0.00 C HETATM 9 C9 UNL 1 13.387 3.213 1.929 1.00 0.00 C HETATM 10 C10 UNL 1 12.953 3.848 0.920 1.00 0.00 C HETATM 11 C11 UNL 1 12.306 3.351 -0.295 1.00 0.00 C HETATM 12 C12 UNL 1 10.977 3.994 -0.372 1.00 0.00 C HETATM 13 C13 UNL 1 9.877 3.327 -0.479 1.00 0.00 C HETATM 14 C14 UNL 1 9.712 1.853 -0.554 1.00 0.00 C HETATM 15 C15 UNL 1 8.946 1.396 0.604 1.00 0.00 C HETATM 16 C16 UNL 1 7.790 0.796 0.502 1.00 0.00 C HETATM 17 C17 UNL 1 7.071 0.480 -0.747 1.00 0.00 C HETATM 18 C18 UNL 1 6.832 -0.989 -0.894 1.00 0.00 C HETATM 19 C19 UNL 1 6.120 -1.432 -2.119 1.00 0.00 C HETATM 20 C20 UNL 1 4.767 -0.897 -2.318 1.00 0.00 C HETATM 21 O1 UNL 1 3.934 -1.602 -2.969 1.00 0.00 O HETATM 22 O2 UNL 1 4.338 0.298 -1.860 1.00 0.00 O HETATM 23 C21 UNL 1 3.130 0.947 -1.948 1.00 0.00 C HETATM 24 C22 UNL 1 1.951 0.290 -1.287 1.00 0.00 C HETATM 25 C23 UNL 1 2.189 0.165 0.228 1.00 0.00 C HETATM 26 O3 UNL 1 1.484 -0.953 0.677 1.00 0.00 O HETATM 27 P1 UNL 1 0.220 -0.507 1.709 1.00 0.00 P HETATM 28 O4 UNL 1 0.341 0.961 2.102 1.00 0.00 O HETATM 29 O5 UNL 1 0.301 -1.461 3.104 1.00 0.00 O HETATM 30 O6 UNL 1 -1.293 -0.698 0.982 1.00 0.00 O HETATM 31 P2 UNL 1 -2.075 -2.125 1.489 1.00 0.00 P HETATM 32 O7 UNL 1 -1.360 -3.349 0.983 1.00 0.00 O HETATM 33 O8 UNL 1 -2.051 -2.119 3.180 1.00 0.00 O HETATM 34 O9 UNL 1 -3.674 -2.066 0.990 1.00 0.00 O HETATM 35 C24 UNL 1 -4.590 -1.923 2.017 1.00 0.00 C HETATM 36 C25 UNL 1 -5.823 -1.219 1.392 1.00 0.00 C HETATM 37 O10 UNL 1 -5.254 -0.223 0.651 1.00 0.00 O HETATM 38 C26 UNL 1 -5.706 1.033 0.856 1.00 0.00 C HETATM 39 N1 UNL 1 -5.023 1.906 1.730 1.00 0.00 N HETATM 40 C27 UNL 1 -3.838 1.641 2.287 1.00 0.00 C HETATM 41 C28 UNL 1 -3.193 2.513 3.140 1.00 0.00 C HETATM 42 C29 UNL 1 -3.817 3.702 3.415 1.00 0.00 C HETATM 43 N2 UNL 1 -3.128 4.598 4.306 1.00 0.00 N HETATM 44 N3 UNL 1 -4.999 3.975 2.866 1.00 0.00 N HETATM 45 C30 UNL 1 -5.586 3.090 2.040 1.00 0.00 C HETATM 46 O11 UNL 1 -6.712 3.438 1.564 1.00 0.00 O HETATM 47 C31 UNL 1 -5.734 1.668 -0.545 1.00 0.00 C HETATM 48 C32 UNL 1 -4.321 2.273 -0.676 1.00 0.00 C HETATM 49 C33 UNL 1 -3.923 2.494 -2.076 1.00 0.00 C HETATM 50 C34 UNL 1 -3.067 1.821 -2.795 1.00 0.00 C HETATM 51 C35 UNL 1 -2.011 0.910 -2.288 1.00 0.00 C HETATM 52 C36 UNL 1 -1.578 -0.102 -3.304 1.00 0.00 C HETATM 53 C37 UNL 1 -0.099 -0.233 -3.487 1.00 0.00 C HETATM 54 C38 UNL 1 0.544 -1.233 -2.599 1.00 0.00 C HETATM 55 O12 UNL 1 0.018 -2.370 -2.517 1.00 0.00 O HETATM 56 O13 UNL 1 1.695 -0.948 -1.868 1.00 0.00 O HETATM 57 C39 UNL 1 -5.862 0.670 -1.643 1.00 0.00 C HETATM 58 O14 UNL 1 -4.943 -0.401 -1.483 1.00 0.00 O HETATM 59 C40 UNL 1 -7.216 0.256 -2.054 1.00 0.00 C HETATM 60 C41 UNL 1 -8.326 0.157 -1.111 1.00 0.00 C HETATM 61 O15 UNL 1 -9.484 0.452 -1.903 1.00 0.00 O HETATM 62 C42 UNL 1 -8.616 -1.121 -0.409 1.00 0.00 C HETATM 63 C43 UNL 1 -9.216 -0.971 0.939 1.00 0.00 C HETATM 64 C44 UNL 1 -10.487 -1.223 1.160 1.00 0.00 C HETATM 65 C45 UNL 1 -11.447 -1.669 0.146 1.00 0.00 C HETATM 66 O16 UNL 1 -11.637 -3.046 0.098 1.00 0.00 O HETATM 67 C46 UNL 1 -12.827 -1.164 0.638 1.00 0.00 C HETATM 68 C47 UNL 1 -13.891 -1.577 -0.357 1.00 0.00 C HETATM 69 C48 UNL 1 -15.215 -1.073 0.135 1.00 0.00 C HETATM 70 C49 UNL 1 -16.340 -1.445 -0.814 1.00 0.00 C HETATM 71 C50 UNL 1 -16.106 -0.856 -2.191 1.00 0.00 C HETATM 72 C51 UNL 1 -7.531 -2.134 -0.338 1.00 0.00 C HETATM 73 O17 UNL 1 -8.106 -3.456 -0.421 1.00 0.00 O HETATM 74 C52 UNL 1 -6.626 -2.256 0.787 1.00 0.00 C HETATM 75 O18 UNL 1 -7.301 -2.921 1.856 1.00 0.00 O HETATM 76 H1 UNL 1 17.277 -1.885 -0.714 1.00 0.00 H HETATM 77 H2 UNL 1 17.007 -3.099 -1.969 1.00 0.00 H HETATM 78 H3 UNL 1 17.175 -3.592 -0.214 1.00 0.00 H HETATM 79 H4 UNL 1 14.854 -1.941 -1.391 1.00 0.00 H HETATM 80 H5 UNL 1 14.879 -3.702 -1.284 1.00 0.00 H HETATM 81 H6 UNL 1 13.677 -2.697 0.627 1.00 0.00 H HETATM 82 H7 UNL 1 15.021 -3.727 1.141 1.00 0.00 H HETATM 83 H8 UNL 1 14.897 -1.791 2.490 1.00 0.00 H HETATM 84 H9 UNL 1 16.425 -1.641 1.532 1.00 0.00 H HETATM 85 H10 UNL 1 15.263 -0.377 -0.204 1.00 0.00 H HETATM 86 H11 UNL 1 15.474 0.501 1.297 1.00 0.00 H HETATM 87 H12 UNL 1 12.892 -0.866 0.134 1.00 0.00 H HETATM 88 H13 UNL 1 11.696 0.796 1.257 1.00 0.00 H HETATM 89 H14 UNL 1 14.457 1.523 2.570 1.00 0.00 H HETATM 90 H15 UNL 1 12.880 1.740 3.290 1.00 0.00 H HETATM 91 H16 UNL 1 13.860 3.880 2.749 1.00 0.00 H HETATM 92 H17 UNL 1 13.071 4.984 0.935 1.00 0.00 H HETATM 93 H18 UNL 1 12.925 3.803 -1.157 1.00 0.00 H HETATM 94 H19 UNL 1 12.223 2.288 -0.427 1.00 0.00 H HETATM 95 H20 UNL 1 10.949 5.085 -0.333 1.00 0.00 H HETATM 96 H21 UNL 1 8.926 3.894 -0.522 1.00 0.00 H HETATM 97 H22 UNL 1 9.192 1.697 -1.546 1.00 0.00 H HETATM 98 H23 UNL 1 10.632 1.278 -0.659 1.00 0.00 H HETATM 99 H24 UNL 1 9.354 1.561 1.606 1.00 0.00 H HETATM 100 H25 UNL 1 7.276 0.478 1.444 1.00 0.00 H HETATM 101 H26 UNL 1 6.041 0.946 -0.638 1.00 0.00 H HETATM 102 H27 UNL 1 7.504 0.958 -1.605 1.00 0.00 H HETATM 103 H28 UNL 1 6.219 -1.335 -0.012 1.00 0.00 H HETATM 104 H29 UNL 1 7.772 -1.585 -0.819 1.00 0.00 H HETATM 105 H30 UNL 1 6.705 -1.196 -3.052 1.00 0.00 H HETATM 106 H31 UNL 1 6.063 -2.550 -2.075 1.00 0.00 H HETATM 107 H32 UNL 1 3.251 1.998 -1.532 1.00 0.00 H HETATM 108 H33 UNL 1 2.885 1.032 -3.048 1.00 0.00 H HETATM 109 H34 UNL 1 1.087 0.991 -1.456 1.00 0.00 H HETATM 110 H35 UNL 1 3.257 0.140 0.430 1.00 0.00 H HETATM 111 H36 UNL 1 1.767 1.102 0.685 1.00 0.00 H HETATM 112 H37 UNL 1 0.354 -0.939 3.935 1.00 0.00 H HETATM 113 H38 UNL 1 -1.704 -2.997 3.504 1.00 0.00 H HETATM 114 H39 UNL 1 -4.888 -2.960 2.320 1.00 0.00 H HETATM 115 H40 UNL 1 -4.236 -1.422 2.907 1.00 0.00 H HETATM 116 H41 UNL 1 -6.274 -0.707 2.296 1.00 0.00 H HETATM 117 H42 UNL 1 -6.733 0.935 1.290 1.00 0.00 H HETATM 118 H43 UNL 1 -3.400 0.689 2.027 1.00 0.00 H HETATM 119 H44 UNL 1 -2.247 2.233 3.548 1.00 0.00 H HETATM 120 H45 UNL 1 -2.814 5.538 4.046 1.00 0.00 H HETATM 121 H46 UNL 1 -2.949 4.246 5.268 1.00 0.00 H HETATM 122 H47 UNL 1 -6.506 2.423 -0.636 1.00 0.00 H HETATM 123 H48 UNL 1 -3.573 1.677 -0.149 1.00 0.00 H HETATM 124 H49 UNL 1 -4.406 3.246 -0.110 1.00 0.00 H HETATM 125 H50 UNL 1 -4.424 3.349 -2.573 1.00 0.00 H HETATM 126 H51 UNL 1 -3.112 1.917 -3.881 1.00 0.00 H HETATM 127 H52 UNL 1 -2.289 0.376 -1.366 1.00 0.00 H HETATM 128 H53 UNL 1 -1.139 1.557 -2.014 1.00 0.00 H HETATM 129 H54 UNL 1 -2.062 0.114 -4.291 1.00 0.00 H HETATM 130 H55 UNL 1 -1.982 -1.091 -3.007 1.00 0.00 H HETATM 131 H56 UNL 1 0.067 -0.606 -4.542 1.00 0.00 H HETATM 132 H57 UNL 1 0.433 0.740 -3.463 1.00 0.00 H HETATM 133 H58 UNL 1 -5.391 1.183 -2.546 1.00 0.00 H HETATM 134 H59 UNL 1 -5.070 -0.957 -2.317 1.00 0.00 H HETATM 135 H60 UNL 1 -7.526 1.008 -2.855 1.00 0.00 H HETATM 136 H61 UNL 1 -7.076 -0.662 -2.707 1.00 0.00 H HETATM 137 H62 UNL 1 -8.302 1.062 -0.455 1.00 0.00 H HETATM 138 H63 UNL 1 -9.312 1.243 -2.440 1.00 0.00 H HETATM 139 H64 UNL 1 -9.439 -1.650 -0.986 1.00 0.00 H HETATM 140 H65 UNL 1 -8.600 -0.645 1.768 1.00 0.00 H HETATM 141 H66 UNL 1 -10.816 -1.077 2.209 1.00 0.00 H HETATM 142 H67 UNL 1 -11.385 -1.192 -0.838 1.00 0.00 H HETATM 143 H68 UNL 1 -11.034 -3.410 -0.566 1.00 0.00 H HETATM 144 H69 UNL 1 -12.989 -1.608 1.632 1.00 0.00 H HETATM 145 H70 UNL 1 -12.774 -0.059 0.663 1.00 0.00 H HETATM 146 H71 UNL 1 -13.688 -1.054 -1.330 1.00 0.00 H HETATM 147 H72 UNL 1 -13.868 -2.650 -0.568 1.00 0.00 H HETATM 148 H73 UNL 1 -15.458 -1.496 1.110 1.00 0.00 H HETATM 149 H74 UNL 1 -15.163 0.035 0.150 1.00 0.00 H HETATM 150 H75 UNL 1 -17.266 -1.017 -0.417 1.00 0.00 H HETATM 151 H76 UNL 1 -16.450 -2.531 -0.876 1.00 0.00 H HETATM 152 H77 UNL 1 -15.658 0.159 -2.104 1.00 0.00 H HETATM 153 H78 UNL 1 -15.435 -1.546 -2.736 1.00 0.00 H HETATM 154 H79 UNL 1 -17.080 -0.775 -2.706 1.00 0.00 H HETATM 155 H80 UNL 1 -7.005 -2.142 -1.339 1.00 0.00 H HETATM 156 H81 UNL 1 -8.514 -3.606 0.443 1.00 0.00 H HETATM 157 H82 UNL 1 -5.912 -3.090 0.452 1.00 0.00 H HETATM 158 H83 UNL 1 -7.248 -2.417 2.695 1.00 0.00 H CONECT 1 2 76 77 78 CONECT 2 3 79 80 CONECT 3 4 81 82 CONECT 4 5 83 84 CONECT 5 6 85 86 CONECT 6 7 7 87 CONECT 7 8 88 CONECT 8 9 89 90 CONECT 9 10 10 91 CONECT 10 11 92 CONECT 11 12 93 94 CONECT 12 13 13 95 CONECT 13 14 96 CONECT 14 15 97 98 CONECT 15 16 16 99 CONECT 16 17 100 CONECT 17 18 101 102 CONECT 18 19 103 104 CONECT 19 20 105 106 CONECT 20 21 21 22 CONECT 22 23 CONECT 23 24 107 108 CONECT 24 25 56 109 CONECT 25 26 110 111 CONECT 26 27 CONECT 27 28 28 29 30 CONECT 29 112 CONECT 30 31 CONECT 31 32 32 33 34 CONECT 33 113 CONECT 34 35 CONECT 35 36 114 115 CONECT 36 37 74 116 CONECT 37 38 CONECT 38 39 47 117 CONECT 39 40 45 CONECT 40 41 41 118 CONECT 41 42 119 CONECT 42 43 44 44 CONECT 43 120 121 CONECT 44 45 CONECT 45 46 46 CONECT 47 48 57 122 CONECT 48 49 123 124 CONECT 49 50 50 125 CONECT 50 51 126 CONECT 51 52 127 128 CONECT 52 53 129 130 CONECT 53 54 131 132 CONECT 54 55 55 56 CONECT 57 58 59 133 CONECT 58 134 CONECT 59 60 135 136 CONECT 60 61 62 137 CONECT 61 138 CONECT 62 63 72 139 CONECT 63 64 64 140 CONECT 64 65 141 CONECT 65 66 67 142 CONECT 66 143 CONECT 67 68 144 145 CONECT 68 69 146 147 CONECT 69 70 148 149 CONECT 70 71 150 151 CONECT 71 152 153 154 CONECT 72 73 74 155 CONECT 73 156 CONECT 74 75 157 CONECT 75 158 END