COMPND HMDB0116486 HETATM 1 C1 UNL 1 -5.458 10.935 3.743 1.00 0.00 C HETATM 2 C2 UNL 1 -6.540 9.939 4.079 1.00 0.00 C HETATM 3 C3 UNL 1 -6.002 8.542 4.285 1.00 0.00 C HETATM 4 C4 UNL 1 -5.343 7.992 3.032 1.00 0.00 C HETATM 5 C5 UNL 1 -4.772 6.597 3.310 1.00 0.00 C HETATM 6 C6 UNL 1 -4.182 6.058 2.083 1.00 0.00 C HETATM 7 C7 UNL 1 -2.919 5.751 1.915 1.00 0.00 C HETATM 8 C8 UNL 1 -1.928 5.951 3.037 1.00 0.00 C HETATM 9 C9 UNL 1 -0.914 6.893 2.435 1.00 0.00 C HETATM 10 C10 UNL 1 0.323 6.570 2.354 1.00 0.00 C HETATM 11 C11 UNL 1 0.888 5.255 2.844 1.00 0.00 C HETATM 12 C12 UNL 1 1.935 5.697 3.833 1.00 0.00 C HETATM 13 C13 UNL 1 3.195 5.352 3.730 1.00 0.00 C HETATM 14 C14 UNL 1 3.659 4.478 2.622 1.00 0.00 C HETATM 15 C15 UNL 1 4.564 5.214 1.722 1.00 0.00 C HETATM 16 C16 UNL 1 5.827 4.943 1.514 1.00 0.00 C HETATM 17 C17 UNL 1 6.523 3.848 2.174 1.00 0.00 C HETATM 18 C18 UNL 1 7.105 2.764 1.422 1.00 0.00 C HETATM 19 C19 UNL 1 7.011 2.488 0.165 1.00 0.00 C HETATM 20 C20 UNL 1 6.267 3.175 -0.880 1.00 0.00 C HETATM 21 C21 UNL 1 5.365 2.189 -1.634 1.00 0.00 C HETATM 22 C22 UNL 1 4.512 1.419 -0.742 1.00 0.00 C HETATM 23 O1 UNL 1 5.129 0.426 -0.161 1.00 0.00 O HETATM 24 O2 UNL 1 3.177 1.582 -0.436 1.00 0.00 O HETATM 25 C23 UNL 1 2.538 0.703 0.436 1.00 0.00 C HETATM 26 C24 UNL 1 1.323 0.008 -0.098 1.00 0.00 C HETATM 27 O3 UNL 1 1.475 -0.838 -1.156 1.00 0.00 O HETATM 28 C25 UNL 1 1.904 -0.643 -2.437 1.00 0.00 C HETATM 29 O4 UNL 1 2.232 0.495 -2.787 1.00 0.00 O HETATM 30 C26 UNL 1 1.945 -1.814 -3.318 1.00 0.00 C HETATM 31 C27 UNL 1 2.451 -1.553 -4.716 1.00 0.00 C HETATM 32 C28 UNL 1 2.381 -2.943 -5.390 1.00 0.00 C HETATM 33 C29 UNL 1 2.861 -2.815 -6.754 1.00 0.00 C HETATM 34 C30 UNL 1 2.155 -3.104 -7.799 1.00 0.00 C HETATM 35 C31 UNL 1 0.734 -3.612 -7.780 1.00 0.00 C HETATM 36 C32 UNL 1 0.734 -4.947 -8.408 1.00 0.00 C HETATM 37 C33 UNL 1 0.337 -6.023 -7.805 1.00 0.00 C HETATM 38 C34 UNL 1 -0.174 -6.076 -6.423 1.00 0.00 C HETATM 39 C35 UNL 1 0.749 -6.923 -5.625 1.00 0.00 C HETATM 40 C36 UNL 1 0.427 -8.050 -5.030 1.00 0.00 C HETATM 41 C37 UNL 1 -0.863 -8.677 -5.039 1.00 0.00 C HETATM 42 C38 UNL 1 -1.631 -8.887 -3.820 1.00 0.00 C HETATM 43 C39 UNL 1 -1.415 -8.513 -2.609 1.00 0.00 C HETATM 44 C40 UNL 1 -0.302 -7.734 -2.108 1.00 0.00 C HETATM 45 C41 UNL 1 -0.857 -6.457 -1.408 1.00 0.00 C HETATM 46 C42 UNL 1 -1.669 -5.697 -2.411 1.00 0.00 C HETATM 47 C43 UNL 1 -2.288 -4.464 -1.825 1.00 0.00 C HETATM 48 C44 UNL 1 -1.292 -3.468 -1.292 1.00 0.00 C HETATM 49 C45 UNL 1 2.148 1.315 1.783 1.00 0.00 C HETATM 50 O5 UNL 1 1.543 0.315 2.559 1.00 0.00 O HETATM 51 P1 UNL 1 1.077 0.796 4.075 1.00 0.00 P HETATM 52 O6 UNL 1 1.782 0.019 5.174 1.00 0.00 O HETATM 53 O7 UNL 1 1.377 2.430 4.355 1.00 0.00 O HETATM 54 O8 UNL 1 -0.595 0.538 4.212 1.00 0.00 O HETATM 55 C46 UNL 1 -0.936 0.107 5.488 1.00 0.00 C HETATM 56 C47 UNL 1 -2.439 -0.127 5.555 1.00 0.00 C HETATM 57 O9 UNL 1 -3.039 1.114 5.258 1.00 0.00 O HETATM 58 C48 UNL 1 -2.788 -1.115 4.461 1.00 0.00 C HETATM 59 O10 UNL 1 -4.155 -1.296 4.365 1.00 0.00 O HETATM 60 P2 UNL 1 -4.560 -2.388 3.158 1.00 0.00 P HETATM 61 O11 UNL 1 -5.496 -3.461 3.695 1.00 0.00 O HETATM 62 O12 UNL 1 -5.321 -1.619 1.853 1.00 0.00 O HETATM 63 O13 UNL 1 -3.147 -3.131 2.577 1.00 0.00 O HETATM 64 H1 UNL 1 -5.365 11.699 4.567 1.00 0.00 H HETATM 65 H2 UNL 1 -5.672 11.517 2.807 1.00 0.00 H HETATM 66 H3 UNL 1 -4.465 10.451 3.671 1.00 0.00 H HETATM 67 H4 UNL 1 -7.059 10.245 4.995 1.00 0.00 H HETATM 68 H5 UNL 1 -7.297 9.890 3.248 1.00 0.00 H HETATM 69 H6 UNL 1 -6.902 7.917 4.546 1.00 0.00 H HETATM 70 H7 UNL 1 -5.345 8.498 5.174 1.00 0.00 H HETATM 71 H8 UNL 1 -6.122 7.896 2.253 1.00 0.00 H HETATM 72 H9 UNL 1 -4.556 8.685 2.715 1.00 0.00 H HETATM 73 H10 UNL 1 -4.170 6.630 4.196 1.00 0.00 H HETATM 74 H11 UNL 1 -5.707 5.971 3.540 1.00 0.00 H HETATM 75 H12 UNL 1 -4.866 5.893 1.217 1.00 0.00 H HETATM 76 H13 UNL 1 -2.557 5.352 0.989 1.00 0.00 H HETATM 77 H14 UNL 1 -1.540 4.993 3.318 1.00 0.00 H HETATM 78 H15 UNL 1 -2.369 6.525 3.877 1.00 0.00 H HETATM 79 H16 UNL 1 -1.299 7.867 2.076 1.00 0.00 H HETATM 80 H17 UNL 1 1.013 7.304 1.896 1.00 0.00 H HETATM 81 H18 UNL 1 1.286 4.798 1.927 1.00 0.00 H HETATM 82 H19 UNL 1 0.149 4.616 3.322 1.00 0.00 H HETATM 83 H20 UNL 1 1.652 6.334 4.682 1.00 0.00 H HETATM 84 H21 UNL 1 3.951 5.690 4.455 1.00 0.00 H HETATM 85 H22 UNL 1 4.194 3.589 3.091 1.00 0.00 H HETATM 86 H23 UNL 1 2.799 4.047 2.110 1.00 0.00 H HETATM 87 H24 UNL 1 4.160 6.092 1.148 1.00 0.00 H HETATM 88 H25 UNL 1 6.413 5.606 0.803 1.00 0.00 H HETATM 89 H26 UNL 1 6.011 3.508 3.115 1.00 0.00 H HETATM 90 H27 UNL 1 7.430 4.411 2.690 1.00 0.00 H HETATM 91 H28 UNL 1 7.742 2.040 2.012 1.00 0.00 H HETATM 92 H29 UNL 1 7.576 1.584 -0.207 1.00 0.00 H HETATM 93 H30 UNL 1 5.649 4.013 -0.653 1.00 0.00 H HETATM 94 H31 UNL 1 7.027 3.521 -1.638 1.00 0.00 H HETATM 95 H32 UNL 1 5.978 1.556 -2.318 1.00 0.00 H HETATM 96 H33 UNL 1 4.729 2.800 -2.302 1.00 0.00 H HETATM 97 H34 UNL 1 3.283 -0.103 0.716 1.00 0.00 H HETATM 98 H35 UNL 1 0.491 0.773 -0.259 1.00 0.00 H HETATM 99 H36 UNL 1 0.940 -0.615 0.771 1.00 0.00 H HETATM 100 H37 UNL 1 0.909 -2.272 -3.356 1.00 0.00 H HETATM 101 H38 UNL 1 2.576 -2.640 -2.909 1.00 0.00 H HETATM 102 H39 UNL 1 3.498 -1.247 -4.693 1.00 0.00 H HETATM 103 H40 UNL 1 1.780 -0.853 -5.223 1.00 0.00 H HETATM 104 H41 UNL 1 1.384 -3.372 -5.251 1.00 0.00 H HETATM 105 H42 UNL 1 3.082 -3.635 -4.845 1.00 0.00 H HETATM 106 H43 UNL 1 3.910 -2.444 -6.886 1.00 0.00 H HETATM 107 H44 UNL 1 2.643 -2.964 -8.783 1.00 0.00 H HETATM 108 H45 UNL 1 0.275 -3.612 -6.815 1.00 0.00 H HETATM 109 H46 UNL 1 0.138 -2.893 -8.447 1.00 0.00 H HETATM 110 H47 UNL 1 1.087 -5.067 -9.450 1.00 0.00 H HETATM 111 H48 UNL 1 0.371 -6.996 -8.338 1.00 0.00 H HETATM 112 H49 UNL 1 -1.204 -6.522 -6.508 1.00 0.00 H HETATM 113 H50 UNL 1 -0.324 -5.099 -5.949 1.00 0.00 H HETATM 114 H51 UNL 1 1.789 -6.549 -5.543 1.00 0.00 H HETATM 115 H52 UNL 1 1.274 -8.549 -4.507 1.00 0.00 H HETATM 116 H53 UNL 1 -1.573 -8.228 -5.818 1.00 0.00 H HETATM 117 H54 UNL 1 -0.675 -9.728 -5.514 1.00 0.00 H HETATM 118 H55 UNL 1 -2.591 -9.491 -3.962 1.00 0.00 H HETATM 119 H56 UNL 1 -2.169 -8.813 -1.813 1.00 0.00 H HETATM 120 H57 UNL 1 0.189 -8.290 -1.272 1.00 0.00 H HETATM 121 H58 UNL 1 0.436 -7.368 -2.786 1.00 0.00 H HETATM 122 H59 UNL 1 -1.372 -6.717 -0.485 1.00 0.00 H HETATM 123 H60 UNL 1 0.043 -5.859 -1.169 1.00 0.00 H HETATM 124 H61 UNL 1 -2.481 -6.352 -2.796 1.00 0.00 H HETATM 125 H62 UNL 1 -0.972 -5.370 -3.210 1.00 0.00 H HETATM 126 H63 UNL 1 -3.040 -4.746 -1.031 1.00 0.00 H HETATM 127 H64 UNL 1 -2.910 -3.942 -2.601 1.00 0.00 H HETATM 128 H65 UNL 1 -1.759 -2.818 -0.510 1.00 0.00 H HETATM 129 H66 UNL 1 -1.053 -2.773 -2.138 1.00 0.00 H HETATM 130 H67 UNL 1 -0.401 -3.912 -0.824 1.00 0.00 H HETATM 131 H68 UNL 1 1.402 2.123 1.670 1.00 0.00 H HETATM 132 H69 UNL 1 3.032 1.649 2.351 1.00 0.00 H HETATM 133 H70 UNL 1 1.005 2.754 5.204 1.00 0.00 H HETATM 134 H71 UNL 1 -0.610 0.838 6.254 1.00 0.00 H HETATM 135 H72 UNL 1 -0.400 -0.842 5.674 1.00 0.00 H HETATM 136 H73 UNL 1 -2.770 -0.505 6.518 1.00 0.00 H HETATM 137 H74 UNL 1 -3.705 1.021 4.530 1.00 0.00 H HETATM 138 H75 UNL 1 -2.435 -0.661 3.515 1.00 0.00 H HETATM 139 H76 UNL 1 -2.284 -2.076 4.699 1.00 0.00 H HETATM 140 H77 UNL 1 -6.260 -1.955 1.758 1.00 0.00 H HETATM 141 H78 UNL 1 -3.135 -4.085 2.798 1.00 0.00 H CONECT 1 2 64 65 66 CONECT 2 3 67 68 CONECT 3 4 69 70 CONECT 4 5 71 72 CONECT 5 6 73 74 CONECT 6 7 7 75 CONECT 7 8 76 CONECT 8 9 77 78 CONECT 9 10 10 79 CONECT 10 11 80 CONECT 11 12 81 82 CONECT 12 13 13 83 CONECT 13 14 84 CONECT 14 15 85 86 CONECT 15 16 16 87 CONECT 16 17 88 CONECT 17 18 89 90 CONECT 18 19 19 91 CONECT 19 20 92 CONECT 20 21 93 94 CONECT 21 22 95 96 CONECT 22 23 23 24 CONECT 24 25 CONECT 25 26 49 97 CONECT 26 27 98 99 CONECT 27 28 CONECT 28 29 29 30 CONECT 30 31 100 101 CONECT 31 32 102 103 CONECT 32 33 104 105 CONECT 33 34 34 106 CONECT 34 35 107 CONECT 35 36 108 109 CONECT 36 37 37 110 CONECT 37 38 111 CONECT 38 39 112 113 CONECT 39 40 40 114 CONECT 40 41 115 CONECT 41 42 116 117 CONECT 42 43 43 118 CONECT 43 44 119 CONECT 44 45 120 121 CONECT 45 46 122 123 CONECT 46 47 124 125 CONECT 47 48 126 127 CONECT 48 128 129 130 CONECT 49 50 131 132 CONECT 50 51 CONECT 51 52 52 53 54 CONECT 53 133 CONECT 54 55 CONECT 55 56 134 135 CONECT 56 57 58 136 CONECT 57 137 CONECT 58 59 138 139 CONECT 59 60 CONECT 60 61 61 62 63 CONECT 62 140 CONECT 63 141 END