COMPND HMDB0270876 HETATM 1 C1 UNL 1 -5.906 1.673 -1.039 1.00 0.00 C HETATM 2 C2 UNL 1 -4.716 1.622 -1.954 1.00 0.00 C HETATM 3 C3 UNL 1 -3.412 1.979 -1.286 1.00 0.00 C HETATM 4 C4 UNL 1 -3.537 3.374 -0.747 1.00 0.00 C HETATM 5 C5 UNL 1 -2.290 3.887 -0.066 1.00 0.00 C HETATM 6 C6 UNL 1 -1.839 3.115 1.089 1.00 0.00 C HETATM 7 C7 UNL 1 -0.651 2.533 1.099 1.00 0.00 C HETATM 8 C8 UNL 1 0.294 2.611 -0.041 1.00 0.00 C HETATM 9 C9 UNL 1 1.523 3.286 0.395 1.00 0.00 C HETATM 10 C10 UNL 1 2.701 2.726 0.310 1.00 0.00 C HETATM 11 C11 UNL 1 2.968 1.415 -0.203 1.00 0.00 C HETATM 12 C12 UNL 1 4.233 0.949 -0.269 1.00 0.00 C HETATM 13 C13 UNL 1 4.427 -0.412 -0.807 1.00 0.00 C HETATM 14 C14 UNL 1 5.628 -0.931 -0.937 1.00 0.00 C HETATM 15 C15 UNL 1 5.783 -2.318 -1.491 1.00 0.00 C HETATM 16 S1 UNL 1 4.281 -3.086 -1.950 1.00 0.00 S HETATM 17 C16 UNL 1 3.310 -2.518 -3.279 1.00 0.00 C HETATM 18 C17 UNL 1 3.774 -2.730 -4.691 1.00 0.00 C HETATM 19 N1 UNL 1 5.020 -2.165 -5.056 1.00 0.00 N HETATM 20 C18 UNL 1 2.659 -2.115 -5.530 1.00 0.00 C HETATM 21 O1 UNL 1 2.855 -1.424 -6.529 1.00 0.00 O HETATM 22 O2 UNL 1 1.380 -2.366 -5.110 1.00 0.00 O HETATM 23 C19 UNL 1 0.229 -1.881 -5.742 1.00 0.00 C HETATM 24 C20 UNL 1 -1.047 -2.286 -4.963 1.00 0.00 C HETATM 25 C21 UNL 1 -2.138 -1.427 -5.645 1.00 0.00 C HETATM 26 O3 UNL 1 -1.679 -0.107 -5.644 1.00 0.00 O HETATM 27 P1 UNL 1 -2.742 0.964 -6.341 1.00 0.00 P HETATM 28 O4 UNL 1 -4.142 0.429 -6.280 1.00 0.00 O HETATM 29 O5 UNL 1 -2.304 1.247 -7.972 1.00 0.00 O HETATM 30 O6 UNL 1 -2.661 2.492 -5.574 1.00 0.00 O HETATM 31 C22 UNL 1 -1.552 3.203 -6.058 1.00 0.00 C HETATM 32 C23 UNL 1 -1.430 4.540 -5.396 1.00 0.00 C HETATM 33 O7 UNL 1 -2.530 5.349 -5.569 1.00 0.00 O HETATM 34 C24 UNL 1 -1.058 4.399 -3.917 1.00 0.00 C HETATM 35 O8 UNL 1 -0.759 5.645 -3.377 1.00 0.00 O HETATM 36 O9 UNL 1 -0.913 -1.773 -3.655 1.00 0.00 O HETATM 37 C25 UNL 1 -1.029 -2.513 -2.491 1.00 0.00 C HETATM 38 O10 UNL 1 -1.275 -3.737 -2.534 1.00 0.00 O HETATM 39 C26 UNL 1 -0.856 -1.871 -1.161 1.00 0.00 C HETATM 40 C27 UNL 1 -0.847 -2.849 -0.018 1.00 0.00 C HETATM 41 C28 UNL 1 -0.635 -2.068 1.240 1.00 0.00 C HETATM 42 C29 UNL 1 -1.688 -1.074 1.576 1.00 0.00 C HETATM 43 C30 UNL 1 -3.027 -1.731 1.828 1.00 0.00 C HETATM 44 C31 UNL 1 -4.114 -0.751 2.177 1.00 0.00 C HETATM 45 C32 UNL 1 -3.738 0.077 3.403 1.00 0.00 C HETATM 46 C33 UNL 1 -4.875 0.989 3.723 1.00 0.00 C HETATM 47 C34 UNL 1 -4.639 1.920 4.859 1.00 0.00 C HETATM 48 C35 UNL 1 -4.288 1.153 6.158 1.00 0.00 C HETATM 49 C36 UNL 1 -5.368 0.249 6.559 1.00 0.00 C HETATM 50 C37 UNL 1 -5.290 -0.481 7.809 1.00 0.00 C HETATM 51 C38 UNL 1 -4.282 -1.430 8.214 1.00 0.00 C HETATM 52 C39 UNL 1 -2.894 -1.219 8.578 1.00 0.00 C HETATM 53 C40 UNL 1 -1.890 -0.611 7.681 1.00 0.00 C HETATM 54 C41 UNL 1 -0.484 -0.658 8.337 1.00 0.00 C HETATM 55 C42 UNL 1 0.492 -0.070 7.364 1.00 0.00 C HETATM 56 C43 UNL 1 1.887 -0.094 7.961 1.00 0.00 C HETATM 57 C44 UNL 1 0.115 1.286 6.869 1.00 0.00 C HETATM 58 C45 UNL 1 1.218 1.746 5.906 1.00 0.00 C HETATM 59 C46 UNL 1 6.900 -2.278 -2.476 1.00 0.00 C HETATM 60 O11 UNL 1 8.041 -1.855 -1.708 1.00 0.00 O HETATM 61 C47 UNL 1 7.314 -3.614 -3.029 1.00 0.00 C HETATM 62 C48 UNL 1 7.803 -4.560 -1.991 1.00 0.00 C HETATM 63 C49 UNL 1 8.180 -5.874 -2.609 1.00 0.00 C HETATM 64 C50 UNL 1 9.267 -5.805 -3.607 1.00 0.00 C HETATM 65 O12 UNL 1 9.927 -4.752 -3.870 1.00 0.00 O HETATM 66 O13 UNL 1 9.643 -6.928 -4.340 1.00 0.00 O HETATM 67 H1 UNL 1 -6.720 1.030 -1.479 1.00 0.00 H HETATM 68 H2 UNL 1 -6.275 2.725 -1.032 1.00 0.00 H HETATM 69 H3 UNL 1 -5.658 1.356 -0.015 1.00 0.00 H HETATM 70 H4 UNL 1 -4.668 0.584 -2.385 1.00 0.00 H HETATM 71 H5 UNL 1 -4.921 2.283 -2.833 1.00 0.00 H HETATM 72 H6 UNL 1 -2.593 1.963 -2.016 1.00 0.00 H HETATM 73 H7 UNL 1 -3.224 1.224 -0.501 1.00 0.00 H HETATM 74 H8 UNL 1 -3.717 4.047 -1.616 1.00 0.00 H HETATM 75 H9 UNL 1 -4.452 3.458 -0.116 1.00 0.00 H HETATM 76 H10 UNL 1 -1.539 4.149 -0.799 1.00 0.00 H HETATM 77 H11 UNL 1 -2.627 4.902 0.356 1.00 0.00 H HETATM 78 H12 UNL 1 -2.443 2.974 1.993 1.00 0.00 H HETATM 79 H13 UNL 1 -0.325 1.970 1.959 1.00 0.00 H HETATM 80 H14 UNL 1 0.541 1.540 -0.303 1.00 0.00 H HETATM 81 H15 UNL 1 -0.088 3.045 -0.963 1.00 0.00 H HETATM 82 H16 UNL 1 1.409 4.297 0.803 1.00 0.00 H HETATM 83 H17 UNL 1 3.542 3.327 0.661 1.00 0.00 H HETATM 84 H18 UNL 1 2.195 0.773 -0.545 1.00 0.00 H HETATM 85 H19 UNL 1 5.031 1.555 0.060 1.00 0.00 H HETATM 86 H20 UNL 1 3.588 -1.023 -1.083 1.00 0.00 H HETATM 87 H21 UNL 1 6.496 -0.351 -0.647 1.00 0.00 H HETATM 88 H22 UNL 1 6.201 -2.903 -0.598 1.00 0.00 H HETATM 89 H23 UNL 1 2.899 -1.458 -3.173 1.00 0.00 H HETATM 90 H24 UNL 1 2.312 -3.109 -3.245 1.00 0.00 H HETATM 91 H25 UNL 1 3.779 -3.800 -4.984 1.00 0.00 H HETATM 92 H26 UNL 1 5.624 -2.837 -5.548 1.00 0.00 H HETATM 93 H27 UNL 1 4.877 -1.293 -5.641 1.00 0.00 H HETATM 94 H28 UNL 1 0.108 -2.215 -6.774 1.00 0.00 H HETATM 95 H29 UNL 1 0.250 -0.767 -5.657 1.00 0.00 H HETATM 96 H30 UNL 1 -1.287 -3.331 -5.059 1.00 0.00 H HETATM 97 H31 UNL 1 -3.087 -1.505 -5.124 1.00 0.00 H HETATM 98 H32 UNL 1 -2.230 -1.823 -6.671 1.00 0.00 H HETATM 99 H33 UNL 1 -1.352 1.532 -7.955 1.00 0.00 H HETATM 100 H34 UNL 1 -1.691 3.382 -7.146 1.00 0.00 H HETATM 101 H35 UNL 1 -0.612 2.640 -5.898 1.00 0.00 H HETATM 102 H36 UNL 1 -0.536 5.056 -5.849 1.00 0.00 H HETATM 103 H37 UNL 1 -2.253 6.231 -5.877 1.00 0.00 H HETATM 104 H38 UNL 1 -1.882 3.989 -3.315 1.00 0.00 H HETATM 105 H39 UNL 1 -0.139 3.781 -3.915 1.00 0.00 H HETATM 106 H40 UNL 1 -1.576 6.090 -3.097 1.00 0.00 H HETATM 107 H41 UNL 1 -1.671 -1.125 -0.985 1.00 0.00 H HETATM 108 H42 UNL 1 0.143 -1.364 -1.174 1.00 0.00 H HETATM 109 H43 UNL 1 0.029 -3.524 -0.159 1.00 0.00 H HETATM 110 H44 UNL 1 -1.731 -3.496 0.008 1.00 0.00 H HETATM 111 H45 UNL 1 0.342 -1.520 1.209 1.00 0.00 H HETATM 112 H46 UNL 1 -0.549 -2.761 2.121 1.00 0.00 H HETATM 113 H47 UNL 1 -1.390 -0.631 2.572 1.00 0.00 H HETATM 114 H48 UNL 1 -1.769 -0.215 0.897 1.00 0.00 H HETATM 115 H49 UNL 1 -2.979 -2.479 2.629 1.00 0.00 H HETATM 116 H50 UNL 1 -3.369 -2.264 0.902 1.00 0.00 H HETATM 117 H51 UNL 1 -4.317 -0.028 1.376 1.00 0.00 H HETATM 118 H52 UNL 1 -5.042 -1.328 2.360 1.00 0.00 H HETATM 119 H53 UNL 1 -3.482 -0.629 4.221 1.00 0.00 H HETATM 120 H54 UNL 1 -2.835 0.675 3.194 1.00 0.00 H HETATM 121 H55 UNL 1 -5.815 0.395 3.863 1.00 0.00 H HETATM 122 H56 UNL 1 -5.068 1.603 2.800 1.00 0.00 H HETATM 123 H57 UNL 1 -3.785 2.581 4.642 1.00 0.00 H HETATM 124 H58 UNL 1 -5.515 2.523 5.099 1.00 0.00 H HETATM 125 H59 UNL 1 -3.967 1.856 6.911 1.00 0.00 H HETATM 126 H60 UNL 1 -3.370 0.583 5.809 1.00 0.00 H HETATM 127 H61 UNL 1 -6.389 0.767 6.478 1.00 0.00 H HETATM 128 H62 UNL 1 -5.507 -0.558 5.727 1.00 0.00 H HETATM 129 H63 UNL 1 -6.357 -0.959 7.981 1.00 0.00 H HETATM 130 H64 UNL 1 -5.335 0.310 8.683 1.00 0.00 H HETATM 131 H65 UNL 1 -4.255 -2.273 7.388 1.00 0.00 H HETATM 132 H66 UNL 1 -4.771 -2.083 9.068 1.00 0.00 H HETATM 133 H67 UNL 1 -2.475 -2.260 8.855 1.00 0.00 H HETATM 134 H68 UNL 1 -2.827 -0.623 9.562 1.00 0.00 H HETATM 135 H69 UNL 1 -2.075 0.512 7.644 1.00 0.00 H HETATM 136 H70 UNL 1 -1.812 -1.007 6.687 1.00 0.00 H HETATM 137 H71 UNL 1 -0.539 -0.138 9.298 1.00 0.00 H HETATM 138 H72 UNL 1 -0.281 -1.756 8.439 1.00 0.00 H HETATM 139 H73 UNL 1 0.509 -0.743 6.460 1.00 0.00 H HETATM 140 H74 UNL 1 1.957 -0.721 8.871 1.00 0.00 H HETATM 141 H75 UNL 1 2.178 0.970 8.141 1.00 0.00 H HETATM 142 H76 UNL 1 2.588 -0.525 7.213 1.00 0.00 H HETATM 143 H77 UNL 1 -0.007 2.047 7.643 1.00 0.00 H HETATM 144 H78 UNL 1 -0.844 1.194 6.287 1.00 0.00 H HETATM 145 H79 UNL 1 1.906 2.417 6.441 1.00 0.00 H HETATM 146 H80 UNL 1 1.704 0.838 5.503 1.00 0.00 H HETATM 147 H81 UNL 1 0.697 2.307 5.096 1.00 0.00 H HETATM 148 H82 UNL 1 6.821 -1.479 -3.233 1.00 0.00 H HETATM 149 H83 UNL 1 7.955 -2.352 -0.860 1.00 0.00 H HETATM 150 H84 UNL 1 8.077 -3.482 -3.809 1.00 0.00 H HETATM 151 H85 UNL 1 6.418 -4.023 -3.582 1.00 0.00 H HETATM 152 H86 UNL 1 8.730 -4.113 -1.553 1.00 0.00 H HETATM 153 H87 UNL 1 7.074 -4.763 -1.192 1.00 0.00 H HETATM 154 H88 UNL 1 8.526 -6.610 -1.837 1.00 0.00 H HETATM 155 H89 UNL 1 7.298 -6.351 -3.118 1.00 0.00 H HETATM 156 H90 UNL 1 9.708 -6.875 -5.359 1.00 0.00 H CONECT 1 2 67 68 69 CONECT 2 3 70 71 CONECT 3 4 72 73 CONECT 4 5 74 75 CONECT 5 6 76 77 CONECT 6 7 7 78 CONECT 7 8 79 CONECT 8 9 80 81 CONECT 9 10 10 82 CONECT 10 11 83 CONECT 11 12 12 84 CONECT 12 13 85 CONECT 13 14 14 86 CONECT 14 15 87 CONECT 15 16 59 88 CONECT 16 17 CONECT 17 18 89 90 CONECT 18 19 20 91 CONECT 19 92 93 CONECT 20 21 21 22 CONECT 22 23 CONECT 23 24 94 95 CONECT 24 25 36 96 CONECT 25 26 97 98 CONECT 26 27 CONECT 27 28 28 29 30 CONECT 29 99 CONECT 30 31 CONECT 31 32 100 101 CONECT 32 33 34 102 CONECT 33 103 CONECT 34 35 104 105 CONECT 35 106 CONECT 36 37 CONECT 37 38 38 39 CONECT 39 40 107 108 CONECT 40 41 109 110 CONECT 41 42 111 112 CONECT 42 43 113 114 CONECT 43 44 115 116 CONECT 44 45 117 118 CONECT 45 46 119 120 CONECT 46 47 121 122 CONECT 47 48 123 124 CONECT 48 49 125 126 CONECT 49 50 127 128 CONECT 50 51 129 130 CONECT 51 52 131 132 CONECT 52 53 133 134 CONECT 53 54 135 136 CONECT 54 55 137 138 CONECT 55 56 57 139 CONECT 56 140 141 142 CONECT 57 58 143 144 CONECT 58 145 146 147 CONECT 59 60 61 148 CONECT 60 149 CONECT 61 62 150 151 CONECT 62 63 152 153 CONECT 63 64 154 155 CONECT 64 65 65 66 CONECT 66 156 END