COMPND HMDB0032692 HETATM 1 C1 UNL 1 -7.715 -2.982 0.491 1.00 0.00 C HETATM 2 C2 UNL 1 -8.250 -1.797 1.258 1.00 0.00 C HETATM 3 C3 UNL 1 -7.243 -1.500 2.375 1.00 0.00 C HETATM 4 O1 UNL 1 -6.011 -1.597 1.795 1.00 0.00 O HETATM 5 C4 UNL 1 -5.743 -0.781 0.736 1.00 0.00 C HETATM 6 C5 UNL 1 -6.845 -0.057 0.109 1.00 0.00 C HETATM 7 C6 UNL 1 -8.235 -0.540 0.400 1.00 0.00 C HETATM 8 O2 UNL 1 -8.989 -0.781 -0.720 1.00 0.00 O HETATM 9 C7 UNL 1 -10.128 -0.016 -0.722 1.00 0.00 C HETATM 10 O3 UNL 1 -10.095 0.889 -1.780 1.00 0.00 O HETATM 11 C8 UNL 1 -11.327 1.504 -1.979 1.00 0.00 C HETATM 12 C9 UNL 1 -11.023 2.964 -2.341 1.00 0.00 C HETATM 13 O4 UNL 1 -10.331 3.593 -1.330 1.00 0.00 O HETATM 14 C10 UNL 1 -12.176 1.536 -0.737 1.00 0.00 C HETATM 15 O5 UNL 1 -13.357 2.211 -1.035 1.00 0.00 O HETATM 16 C11 UNL 1 -12.524 0.153 -0.296 1.00 0.00 C HETATM 17 O6 UNL 1 -13.763 -0.272 -0.717 1.00 0.00 O HETATM 18 C12 UNL 1 -11.411 -0.782 -0.787 1.00 0.00 C HETATM 19 O7 UNL 1 -11.450 -1.900 0.013 1.00 0.00 O HETATM 20 O8 UNL 1 -5.023 -1.584 -0.188 1.00 0.00 O HETATM 21 C13 UNL 1 -3.939 -2.059 0.571 1.00 0.00 C HETATM 22 C14 UNL 1 -2.694 -2.191 -0.302 1.00 0.00 C HETATM 23 C15 UNL 1 -1.986 -0.926 -0.049 1.00 0.00 C HETATM 24 C16 UNL 1 -0.580 -0.836 -0.536 1.00 0.00 C HETATM 25 C17 UNL 1 0.072 -2.204 -0.601 1.00 0.00 C HETATM 26 C18 UNL 1 1.468 -2.095 -1.077 1.00 0.00 C HETATM 27 O9 UNL 1 2.136 -3.038 -1.432 1.00 0.00 O HETATM 28 C19 UNL 1 2.128 -0.736 -1.134 1.00 0.00 C HETATM 29 C20 UNL 1 3.604 -0.899 -1.332 1.00 0.00 C HETATM 30 C21 UNL 1 4.377 0.327 -1.049 1.00 0.00 C HETATM 31 O10 UNL 1 5.719 0.136 -0.823 1.00 0.00 O HETATM 32 C22 UNL 1 6.619 0.736 -1.620 1.00 0.00 C HETATM 33 O11 UNL 1 7.436 1.567 -0.854 1.00 0.00 O HETATM 34 C23 UNL 1 7.837 0.884 0.291 1.00 0.00 C HETATM 35 C24 UNL 1 8.825 1.689 1.079 1.00 0.00 C HETATM 36 O12 UNL 1 9.929 2.152 0.534 1.00 0.00 O HETATM 37 C25 UNL 1 10.956 1.497 0.007 1.00 0.00 C HETATM 38 O13 UNL 1 11.157 1.811 -1.369 1.00 0.00 O HETATM 39 C26 UNL 1 11.982 0.818 -1.879 1.00 0.00 C HETATM 40 C27 UNL 1 13.399 1.180 -1.410 1.00 0.00 C HETATM 41 O14 UNL 1 13.637 2.492 -1.731 1.00 0.00 O HETATM 42 C28 UNL 1 13.376 1.018 0.106 1.00 0.00 C HETATM 43 O15 UNL 1 14.612 1.453 0.578 1.00 0.00 O HETATM 44 C29 UNL 1 12.278 1.799 0.736 1.00 0.00 C HETATM 45 O16 UNL 1 12.112 1.359 2.048 1.00 0.00 O HETATM 46 C30 UNL 1 8.023 -0.567 0.193 1.00 0.00 C HETATM 47 O17 UNL 1 8.977 -1.065 1.116 1.00 0.00 O HETATM 48 C31 UNL 1 8.367 -1.017 -1.197 1.00 0.00 C HETATM 49 O18 UNL 1 8.054 -2.405 -1.293 1.00 0.00 O HETATM 50 C32 UNL 1 7.592 -0.267 -2.244 1.00 0.00 C HETATM 51 O19 UNL 1 8.516 0.501 -2.965 1.00 0.00 O HETATM 52 C33 UNL 1 3.901 1.144 0.133 1.00 0.00 C HETATM 53 C34 UNL 1 2.407 1.332 0.162 1.00 0.00 C HETATM 54 C35 UNL 1 1.728 -0.035 0.124 1.00 0.00 C HETATM 55 C36 UNL 1 2.255 -0.803 1.289 1.00 0.00 C HETATM 56 C37 UNL 1 0.246 0.219 0.113 1.00 0.00 C HETATM 57 C38 UNL 1 -0.173 0.669 1.466 1.00 0.00 C HETATM 58 C39 UNL 1 -1.658 0.632 1.725 1.00 0.00 C HETATM 59 C40 UNL 1 -2.169 -0.726 1.428 1.00 0.00 C HETATM 60 C41 UNL 1 -1.508 -1.812 2.262 1.00 0.00 C HETATM 61 C42 UNL 1 -3.625 -0.957 1.587 1.00 0.00 C HETATM 62 C43 UNL 1 -4.561 0.110 1.177 1.00 0.00 C HETATM 63 C44 UNL 1 -4.974 1.024 2.307 1.00 0.00 C HETATM 64 H1 UNL 1 -7.512 -2.685 -0.579 1.00 0.00 H HETATM 65 H2 UNL 1 -8.479 -3.815 0.518 1.00 0.00 H HETATM 66 H3 UNL 1 -6.790 -3.398 0.888 1.00 0.00 H HETATM 67 H4 UNL 1 -9.259 -1.953 1.666 1.00 0.00 H HETATM 68 H5 UNL 1 -7.314 -2.258 3.169 1.00 0.00 H HETATM 69 H6 UNL 1 -7.452 -0.520 2.850 1.00 0.00 H HETATM 70 H7 UNL 1 -6.759 1.032 0.318 1.00 0.00 H HETATM 71 H8 UNL 1 -6.722 -0.125 -1.015 1.00 0.00 H HETATM 72 H9 UNL 1 -8.751 0.229 1.014 1.00 0.00 H HETATM 73 H10 UNL 1 -10.163 0.618 0.203 1.00 0.00 H HETATM 74 H11 UNL 1 -11.840 1.075 -2.858 1.00 0.00 H HETATM 75 H12 UNL 1 -10.534 3.040 -3.324 1.00 0.00 H HETATM 76 H13 UNL 1 -12.030 3.466 -2.395 1.00 0.00 H HETATM 77 H14 UNL 1 -10.868 3.957 -0.610 1.00 0.00 H HETATM 78 H15 UNL 1 -11.599 2.049 0.059 1.00 0.00 H HETATM 79 H16 UNL 1 -14.149 1.593 -1.015 1.00 0.00 H HETATM 80 H17 UNL 1 -12.466 0.088 0.831 1.00 0.00 H HETATM 81 H18 UNL 1 -13.741 -1.272 -0.706 1.00 0.00 H HETATM 82 H19 UNL 1 -11.658 -1.114 -1.826 1.00 0.00 H HETATM 83 H20 UNL 1 -11.770 -1.692 0.923 1.00 0.00 H HETATM 84 H21 UNL 1 -4.207 -2.983 1.081 1.00 0.00 H HETATM 85 H22 UNL 1 -3.071 -2.318 -1.343 1.00 0.00 H HETATM 86 H23 UNL 1 -2.129 -3.111 -0.070 1.00 0.00 H HETATM 87 H24 UNL 1 -2.589 -0.101 -0.532 1.00 0.00 H HETATM 88 H25 UNL 1 -0.688 -0.574 -1.641 1.00 0.00 H HETATM 89 H26 UNL 1 -0.075 -2.816 0.291 1.00 0.00 H HETATM 90 H27 UNL 1 -0.464 -2.784 -1.415 1.00 0.00 H HETATM 91 H28 UNL 1 1.710 -0.239 -2.049 1.00 0.00 H HETATM 92 H29 UNL 1 3.912 -1.784 -0.735 1.00 0.00 H HETATM 93 H30 UNL 1 3.734 -1.116 -2.438 1.00 0.00 H HETATM 94 H31 UNL 1 4.300 1.011 -1.940 1.00 0.00 H HETATM 95 H32 UNL 1 6.206 1.370 -2.430 1.00 0.00 H HETATM 96 H33 UNL 1 6.838 0.983 0.935 1.00 0.00 H HETATM 97 H34 UNL 1 9.028 1.050 2.018 1.00 0.00 H HETATM 98 H35 UNL 1 8.252 2.598 1.499 1.00 0.00 H HETATM 99 H36 UNL 1 10.878 0.405 0.026 1.00 0.00 H HETATM 100 H37 UNL 1 11.960 0.720 -2.966 1.00 0.00 H HETATM 101 H38 UNL 1 11.696 -0.146 -1.376 1.00 0.00 H HETATM 102 H39 UNL 1 14.129 0.457 -1.817 1.00 0.00 H HETATM 103 H40 UNL 1 14.182 2.630 -2.536 1.00 0.00 H HETATM 104 H41 UNL 1 13.272 -0.074 0.342 1.00 0.00 H HETATM 105 H42 UNL 1 15.177 1.817 -0.146 1.00 0.00 H HETATM 106 H43 UNL 1 12.478 2.876 0.765 1.00 0.00 H HETATM 107 H44 UNL 1 12.605 1.918 2.706 1.00 0.00 H HETATM 108 H45 UNL 1 7.091 -1.154 0.503 1.00 0.00 H HETATM 109 H46 UNL 1 8.957 -2.033 1.031 1.00 0.00 H HETATM 110 H47 UNL 1 9.471 -0.897 -1.334 1.00 0.00 H HETATM 111 H48 UNL 1 7.707 -2.738 -0.427 1.00 0.00 H HETATM 112 H49 UNL 1 7.070 -0.992 -2.881 1.00 0.00 H HETATM 113 H50 UNL 1 8.843 0.043 -3.760 1.00 0.00 H HETATM 114 H51 UNL 1 4.358 2.159 0.025 1.00 0.00 H HETATM 115 H52 UNL 1 4.295 0.722 1.074 1.00 0.00 H HETATM 116 H53 UNL 1 2.084 2.002 -0.630 1.00 0.00 H HETATM 117 H54 UNL 1 2.150 1.780 1.140 1.00 0.00 H HETATM 118 H55 UNL 1 1.744 -1.775 1.418 1.00 0.00 H HETATM 119 H56 UNL 1 3.329 -1.092 1.078 1.00 0.00 H HETATM 120 H57 UNL 1 2.288 -0.288 2.243 1.00 0.00 H HETATM 121 H58 UNL 1 0.141 1.152 -0.534 1.00 0.00 H HETATM 122 H59 UNL 1 0.109 1.757 1.624 1.00 0.00 H HETATM 123 H60 UNL 1 0.320 0.159 2.318 1.00 0.00 H HETATM 124 H61 UNL 1 -1.814 0.909 2.782 1.00 0.00 H HETATM 125 H62 UNL 1 -2.126 1.343 1.027 1.00 0.00 H HETATM 126 H63 UNL 1 -0.438 -1.713 2.381 1.00 0.00 H HETATM 127 H64 UNL 1 -1.879 -2.789 1.929 1.00 0.00 H HETATM 128 H65 UNL 1 -1.942 -1.678 3.298 1.00 0.00 H HETATM 129 H66 UNL 1 -3.927 -1.317 2.597 1.00 0.00 H HETATM 130 H67 UNL 1 -4.276 0.731 0.335 1.00 0.00 H HETATM 131 H68 UNL 1 -4.862 0.561 3.302 1.00 0.00 H HETATM 132 H69 UNL 1 -4.237 1.879 2.302 1.00 0.00 H HETATM 133 H70 UNL 1 -5.952 1.471 2.136 1.00 0.00 H CONECT 1 2 64 65 66 CONECT 2 3 7 67 CONECT 3 4 68 69 CONECT 4 5 CONECT 5 6 20 62 CONECT 6 7 70 71 CONECT 7 8 72 CONECT 8 9 CONECT 9 10 18 73 CONECT 10 11 CONECT 11 12 14 74 CONECT 12 13 75 76 CONECT 13 77 CONECT 14 15 16 78 CONECT 15 79 CONECT 16 17 18 80 CONECT 17 81 CONECT 18 19 82 CONECT 19 83 CONECT 20 21 CONECT 21 22 61 84 CONECT 22 23 85 86 CONECT 23 24 59 87 CONECT 24 25 56 88 CONECT 25 26 89 90 CONECT 26 27 27 28 CONECT 28 29 54 91 CONECT 29 30 92 93 CONECT 30 31 52 94 CONECT 31 32 CONECT 32 33 50 95 CONECT 33 34 CONECT 34 35 46 96 CONECT 35 36 97 98 CONECT 36 37 CONECT 37 38 44 99 CONECT 38 39 CONECT 39 40 100 101 CONECT 40 41 42 102 CONECT 41 103 CONECT 42 43 44 104 CONECT 43 105 CONECT 44 45 106 CONECT 45 107 CONECT 46 47 48 108 CONECT 47 109 CONECT 48 49 50 110 CONECT 49 111 CONECT 50 51 112 CONECT 51 113 CONECT 52 53 114 115 CONECT 53 54 116 117 CONECT 54 55 56 CONECT 55 118 119 120 CONECT 56 57 121 CONECT 57 58 122 123 CONECT 58 59 124 125 CONECT 59 60 61 CONECT 60 126 127 128 CONECT 61 62 129 CONECT 62 63 130 CONECT 63 131 132 133 END