COMPND HMDB0277683 HETATM 1 C1 UNL 1 15.063 2.611 -2.262 1.00 0.00 C HETATM 2 C2 UNL 1 13.590 2.518 -1.847 1.00 0.00 C HETATM 3 C3 UNL 1 13.365 3.195 -0.564 1.00 0.00 C HETATM 4 C4 UNL 1 12.922 2.653 0.537 1.00 0.00 C HETATM 5 C5 UNL 1 12.586 1.198 0.580 1.00 0.00 C HETATM 6 C6 UNL 1 13.396 0.502 1.589 1.00 0.00 C HETATM 7 C7 UNL 1 12.858 -0.141 2.594 1.00 0.00 C HETATM 8 C8 UNL 1 11.425 -0.266 2.862 1.00 0.00 C HETATM 9 C9 UNL 1 11.052 -1.704 2.867 1.00 0.00 C HETATM 10 C10 UNL 1 10.205 -2.302 2.075 1.00 0.00 C HETATM 11 C11 UNL 1 9.463 -1.593 1.005 1.00 0.00 C HETATM 12 C12 UNL 1 9.818 -2.247 -0.280 1.00 0.00 C HETATM 13 C13 UNL 1 8.904 -2.811 -1.031 1.00 0.00 C HETATM 14 C14 UNL 1 7.458 -2.872 -0.718 1.00 0.00 C HETATM 15 C15 UNL 1 6.700 -2.149 -1.827 1.00 0.00 C HETATM 16 C16 UNL 1 5.221 -2.126 -1.610 1.00 0.00 C HETATM 17 C17 UNL 1 4.849 -1.439 -0.309 1.00 0.00 C HETATM 18 C18 UNL 1 5.391 -0.024 -0.377 1.00 0.00 C HETATM 19 C19 UNL 1 5.098 0.758 0.861 1.00 0.00 C HETATM 20 C20 UNL 1 3.669 0.936 1.169 1.00 0.00 C HETATM 21 O1 UNL 1 3.071 1.928 0.638 1.00 0.00 O HETATM 22 O2 UNL 1 2.924 0.121 1.988 1.00 0.00 O HETATM 23 C21 UNL 1 1.565 0.268 2.306 1.00 0.00 C HETATM 24 C22 UNL 1 0.618 0.201 1.141 1.00 0.00 C HETATM 25 C23 UNL 1 -0.690 0.761 1.626 1.00 0.00 C HETATM 26 O3 UNL 1 -1.613 1.104 0.735 1.00 0.00 O HETATM 27 P1 UNL 1 -1.312 2.225 -0.422 1.00 0.00 P HETATM 28 O4 UNL 1 -0.849 3.524 0.250 1.00 0.00 O HETATM 29 O5 UNL 1 -0.017 1.830 -1.473 1.00 0.00 O HETATM 30 O6 UNL 1 -2.627 2.585 -1.399 1.00 0.00 O HETATM 31 C24 UNL 1 -3.787 1.831 -1.035 1.00 0.00 C HETATM 32 C25 UNL 1 -3.365 0.425 -1.111 1.00 0.00 C HETATM 33 O7 UNL 1 -2.068 0.245 -1.680 1.00 0.00 O HETATM 34 C26 UNL 1 -4.207 -0.408 -2.096 1.00 0.00 C HETATM 35 O8 UNL 1 -3.674 -0.310 -3.387 1.00 0.00 O HETATM 36 C27 UNL 1 -4.270 -1.785 -1.563 1.00 0.00 C HETATM 37 O9 UNL 1 -3.774 -2.591 -2.619 1.00 0.00 O HETATM 38 C28 UNL 1 -5.588 -2.282 -1.063 1.00 0.00 C HETATM 39 C29 UNL 1 -5.519 -3.805 -1.317 1.00 0.00 C HETATM 40 C30 UNL 1 -4.810 -4.555 -0.256 1.00 0.00 C HETATM 41 C31 UNL 1 -3.474 -5.161 -0.637 1.00 0.00 C HETATM 42 C32 UNL 1 -2.387 -4.834 0.368 1.00 0.00 C HETATM 43 C33 UNL 1 -1.345 -3.900 -0.106 1.00 0.00 C HETATM 44 C34 UNL 1 -0.987 -2.797 0.900 1.00 0.00 C HETATM 45 C35 UNL 1 0.387 -2.271 0.681 1.00 0.00 C HETATM 46 O10 UNL 1 1.292 -3.181 0.758 1.00 0.00 O HETATM 47 O11 UNL 1 0.586 -0.963 0.432 1.00 0.00 O HETATM 48 C36 UNL 1 -5.918 -1.970 0.351 1.00 0.00 C HETATM 49 O12 UNL 1 -4.789 -1.852 1.186 1.00 0.00 O HETATM 50 C37 UNL 1 -7.003 -1.049 0.670 1.00 0.00 C HETATM 51 C38 UNL 1 -7.108 0.333 0.178 1.00 0.00 C HETATM 52 O13 UNL 1 -8.561 0.517 0.280 1.00 0.00 O HETATM 53 C39 UNL 1 -6.602 1.446 0.993 1.00 0.00 C HETATM 54 C40 UNL 1 -7.391 2.735 0.815 1.00 0.00 C HETATM 55 C41 UNL 1 -8.066 2.964 -0.290 1.00 0.00 C HETATM 56 C42 UNL 1 -8.849 4.249 -0.464 1.00 0.00 C HETATM 57 O14 UNL 1 -9.562 4.227 -1.625 1.00 0.00 O HETATM 58 C43 UNL 1 -9.747 4.493 0.709 1.00 0.00 C HETATM 59 C44 UNL 1 -10.736 3.409 0.936 1.00 0.00 C HETATM 60 C45 UNL 1 -11.687 3.146 -0.183 1.00 0.00 C HETATM 61 C46 UNL 1 -12.624 2.016 0.293 1.00 0.00 C HETATM 62 C47 UNL 1 -13.622 1.699 -0.814 1.00 0.00 C HETATM 63 C48 UNL 1 -5.173 1.765 1.165 1.00 0.00 C HETATM 64 O15 UNL 1 -4.449 0.957 2.037 1.00 0.00 O HETATM 65 C49 UNL 1 -4.398 2.440 0.112 1.00 0.00 C HETATM 66 O16 UNL 1 -3.382 3.196 0.785 1.00 0.00 O HETATM 67 H1 UNL 1 15.222 1.892 -3.091 1.00 0.00 H HETATM 68 H2 UNL 1 15.322 3.622 -2.606 1.00 0.00 H HETATM 69 H3 UNL 1 15.702 2.340 -1.390 1.00 0.00 H HETATM 70 H4 UNL 1 13.062 3.148 -2.646 1.00 0.00 H HETATM 71 H5 UNL 1 13.221 1.516 -1.968 1.00 0.00 H HETATM 72 H6 UNL 1 13.597 4.284 -0.519 1.00 0.00 H HETATM 73 H7 UNL 1 12.788 3.258 1.448 1.00 0.00 H HETATM 74 H8 UNL 1 12.711 0.678 -0.379 1.00 0.00 H HETATM 75 H9 UNL 1 11.519 1.131 0.830 1.00 0.00 H HETATM 76 H10 UNL 1 14.509 0.518 1.503 1.00 0.00 H HETATM 77 H11 UNL 1 13.529 -0.650 3.332 1.00 0.00 H HETATM 78 H12 UNL 1 10.752 0.332 2.292 1.00 0.00 H HETATM 79 H13 UNL 1 11.270 0.043 3.966 1.00 0.00 H HETATM 80 H14 UNL 1 11.571 -2.308 3.645 1.00 0.00 H HETATM 81 H15 UNL 1 10.052 -3.386 2.228 1.00 0.00 H HETATM 82 H16 UNL 1 9.847 -0.531 0.960 1.00 0.00 H HETATM 83 H17 UNL 1 8.403 -1.523 1.227 1.00 0.00 H HETATM 84 H18 UNL 1 10.863 -2.259 -0.608 1.00 0.00 H HETATM 85 H19 UNL 1 9.259 -3.278 -1.984 1.00 0.00 H HETATM 86 H20 UNL 1 7.215 -2.531 0.266 1.00 0.00 H HETATM 87 H21 UNL 1 7.195 -3.984 -0.830 1.00 0.00 H HETATM 88 H22 UNL 1 7.156 -1.167 -2.027 1.00 0.00 H HETATM 89 H23 UNL 1 6.899 -2.770 -2.745 1.00 0.00 H HETATM 90 H24 UNL 1 4.847 -3.169 -1.633 1.00 0.00 H HETATM 91 H25 UNL 1 4.777 -1.533 -2.428 1.00 0.00 H HETATM 92 H26 UNL 1 3.735 -1.429 -0.277 1.00 0.00 H HETATM 93 H27 UNL 1 5.275 -2.032 0.518 1.00 0.00 H HETATM 94 H28 UNL 1 5.109 0.476 -1.304 1.00 0.00 H HETATM 95 H29 UNL 1 6.515 -0.138 -0.407 1.00 0.00 H HETATM 96 H30 UNL 1 5.661 1.718 0.810 1.00 0.00 H HETATM 97 H31 UNL 1 5.553 0.196 1.707 1.00 0.00 H HETATM 98 H32 UNL 1 1.315 -0.608 2.972 1.00 0.00 H HETATM 99 H33 UNL 1 1.415 1.186 2.918 1.00 0.00 H HETATM 100 H34 UNL 1 0.993 1.011 0.429 1.00 0.00 H HETATM 101 H35 UNL 1 -0.446 1.587 2.357 1.00 0.00 H HETATM 102 H36 UNL 1 -1.129 -0.043 2.290 1.00 0.00 H HETATM 103 H37 UNL 1 -0.102 2.425 -2.249 1.00 0.00 H HETATM 104 H38 UNL 1 -4.438 2.003 -1.952 1.00 0.00 H HETATM 105 H39 UNL 1 -3.297 -0.114 -0.170 1.00 0.00 H HETATM 106 H40 UNL 1 -1.936 -0.699 -1.875 1.00 0.00 H HETATM 107 H41 UNL 1 -5.216 0.018 -2.177 1.00 0.00 H HETATM 108 H42 UNL 1 -3.194 0.567 -3.425 1.00 0.00 H HETATM 109 H43 UNL 1 -3.540 -1.944 -0.727 1.00 0.00 H HETATM 110 H44 UNL 1 -4.287 -2.392 -3.429 1.00 0.00 H HETATM 111 H45 UNL 1 -6.432 -1.938 -1.731 1.00 0.00 H HETATM 112 H46 UNL 1 -5.046 -3.952 -2.295 1.00 0.00 H HETATM 113 H47 UNL 1 -6.593 -4.152 -1.447 1.00 0.00 H HETATM 114 H48 UNL 1 -4.606 -4.009 0.687 1.00 0.00 H HETATM 115 H49 UNL 1 -5.534 -5.370 0.085 1.00 0.00 H HETATM 116 H50 UNL 1 -3.176 -5.021 -1.672 1.00 0.00 H HETATM 117 H51 UNL 1 -3.633 -6.286 -0.552 1.00 0.00 H HETATM 118 H52 UNL 1 -1.863 -5.797 0.634 1.00 0.00 H HETATM 119 H53 UNL 1 -2.905 -4.513 1.296 1.00 0.00 H HETATM 120 H54 UNL 1 -1.681 -3.386 -1.024 1.00 0.00 H HETATM 121 H55 UNL 1 -0.397 -4.415 -0.393 1.00 0.00 H HETATM 122 H56 UNL 1 -1.757 -2.036 0.833 1.00 0.00 H HETATM 123 H57 UNL 1 -1.082 -3.240 1.933 1.00 0.00 H HETATM 124 H58 UNL 1 -6.318 -2.977 0.756 1.00 0.00 H HETATM 125 H59 UNL 1 -5.096 -1.756 2.107 1.00 0.00 H HETATM 126 H60 UNL 1 -7.028 -0.976 1.806 1.00 0.00 H HETATM 127 H61 UNL 1 -7.967 -1.647 0.488 1.00 0.00 H HETATM 128 H62 UNL 1 -7.027 0.505 -0.903 1.00 0.00 H HETATM 129 H63 UNL 1 -8.959 -0.206 -0.267 1.00 0.00 H HETATM 130 H64 UNL 1 -6.938 1.156 2.054 1.00 0.00 H HETATM 131 H65 UNL 1 -7.419 3.497 1.584 1.00 0.00 H HETATM 132 H66 UNL 1 -8.072 2.260 -1.086 1.00 0.00 H HETATM 133 H67 UNL 1 -8.076 5.079 -0.548 1.00 0.00 H HETATM 134 H68 UNL 1 -9.039 4.641 -2.355 1.00 0.00 H HETATM 135 H69 UNL 1 -10.282 5.466 0.528 1.00 0.00 H HETATM 136 H70 UNL 1 -9.088 4.657 1.593 1.00 0.00 H HETATM 137 H71 UNL 1 -10.255 2.439 1.202 1.00 0.00 H HETATM 138 H72 UNL 1 -11.374 3.659 1.840 1.00 0.00 H HETATM 139 H73 UNL 1 -11.175 2.776 -1.109 1.00 0.00 H HETATM 140 H74 UNL 1 -12.300 4.013 -0.423 1.00 0.00 H HETATM 141 H75 UNL 1 -12.018 1.131 0.480 1.00 0.00 H HETATM 142 H76 UNL 1 -13.131 2.347 1.209 1.00 0.00 H HETATM 143 H77 UNL 1 -13.811 0.607 -0.812 1.00 0.00 H HETATM 144 H78 UNL 1 -13.224 1.999 -1.814 1.00 0.00 H HETATM 145 H79 UNL 1 -14.609 2.193 -0.612 1.00 0.00 H HETATM 146 H80 UNL 1 -5.297 2.657 1.925 1.00 0.00 H HETATM 147 H81 UNL 1 -4.845 0.889 2.940 1.00 0.00 H HETATM 148 H82 UNL 1 -5.071 3.288 -0.242 1.00 0.00 H HETATM 149 H83 UNL 1 -3.598 3.339 1.719 1.00 0.00 H CONECT 1 2 67 68 69 CONECT 2 3 70 71 CONECT 3 4 4 72 CONECT 4 5 73 CONECT 5 6 74 75 CONECT 6 7 7 76 CONECT 7 8 77 CONECT 8 9 78 79 CONECT 9 10 10 80 CONECT 10 11 81 CONECT 11 12 82 83 CONECT 12 13 13 84 CONECT 13 14 85 CONECT 14 15 86 87 CONECT 15 16 88 89 CONECT 16 17 90 91 CONECT 17 18 92 93 CONECT 18 19 94 95 CONECT 19 20 96 97 CONECT 20 21 21 22 CONECT 22 23 CONECT 23 24 98 99 CONECT 24 25 47 100 CONECT 25 26 101 102 CONECT 26 27 CONECT 27 28 28 29 30 CONECT 29 103 CONECT 30 31 CONECT 31 32 65 104 CONECT 32 33 34 105 CONECT 33 106 CONECT 34 35 36 107 CONECT 35 108 CONECT 36 37 38 109 CONECT 37 110 CONECT 38 39 48 111 CONECT 39 40 112 113 CONECT 40 41 114 115 CONECT 41 42 116 117 CONECT 42 43 118 119 CONECT 43 44 120 121 CONECT 44 45 122 123 CONECT 45 46 46 47 CONECT 48 49 50 124 CONECT 49 125 CONECT 50 51 126 127 CONECT 51 52 53 128 CONECT 52 129 CONECT 53 54 63 130 CONECT 54 55 55 131 CONECT 55 56 132 CONECT 56 57 58 133 CONECT 57 134 CONECT 58 59 135 136 CONECT 59 60 137 138 CONECT 60 61 139 140 CONECT 61 62 141 142 CONECT 62 143 144 145 CONECT 63 64 65 146 CONECT 64 147 CONECT 65 66 148 CONECT 66 149 END