COMPND HMDB0289936 HETATM 1 C1 UNL 1 -6.108 -2.763 3.602 1.00 0.00 C HETATM 2 C2 UNL 1 -7.134 -1.749 3.995 1.00 0.00 C HETATM 3 C3 UNL 1 -8.075 -1.410 2.823 1.00 0.00 C HETATM 4 C4 UNL 1 -8.751 -2.657 2.432 1.00 0.00 C HETATM 5 C5 UNL 1 -9.747 -2.596 1.313 1.00 0.00 C HETATM 6 C6 UNL 1 -10.949 -1.807 1.471 1.00 0.00 C HETATM 7 C7 UNL 1 -11.095 -0.392 1.672 1.00 0.00 C HETATM 8 C8 UNL 1 -10.684 0.643 0.733 1.00 0.00 C HETATM 9 C9 UNL 1 -9.250 0.664 0.375 1.00 0.00 C HETATM 10 C10 UNL 1 -8.929 1.807 -0.589 1.00 0.00 C HETATM 11 C11 UNL 1 -7.480 1.741 -0.961 1.00 0.00 C HETATM 12 C12 UNL 1 -7.080 0.485 -1.687 1.00 0.00 C HETATM 13 C13 UNL 1 -5.624 0.515 -2.036 1.00 0.00 C HETATM 14 C14 UNL 1 -4.827 1.547 -1.702 1.00 0.00 C HETATM 15 C15 UNL 1 -3.401 1.540 -2.068 1.00 0.00 C HETATM 16 O1 UNL 1 -3.246 1.714 -3.445 1.00 0.00 O HETATM 17 C16 UNL 1 -2.629 2.614 -1.287 1.00 0.00 C HETATM 18 C17 UNL 1 -3.035 4.004 -1.578 1.00 0.00 C HETATM 19 O2 UNL 1 -4.313 4.384 -1.301 1.00 0.00 O HETATM 20 N1 UNL 1 -1.229 2.480 -1.674 1.00 0.00 N HETATM 21 C18 UNL 1 -0.346 1.546 -1.096 1.00 0.00 C HETATM 22 O3 UNL 1 -0.808 0.786 -0.211 1.00 0.00 O HETATM 23 C19 UNL 1 1.061 1.448 -1.499 1.00 0.00 C HETATM 24 C20 UNL 1 1.720 0.145 -1.311 1.00 0.00 C HETATM 25 C21 UNL 1 1.781 -0.412 0.061 1.00 0.00 C HETATM 26 C22 UNL 1 2.534 -1.742 -0.054 1.00 0.00 C HETATM 27 C23 UNL 1 3.953 -1.525 -0.596 1.00 0.00 C HETATM 28 C24 UNL 1 4.715 -0.729 0.395 1.00 0.00 C HETATM 29 C25 UNL 1 6.101 -0.314 0.015 1.00 0.00 C HETATM 30 C26 UNL 1 6.186 0.615 -1.164 1.00 0.00 C HETATM 31 O4 UNL 1 5.553 0.211 -2.304 1.00 0.00 O HETATM 32 C27 UNL 1 5.596 1.900 -0.589 1.00 0.00 C HETATM 33 C28 UNL 1 5.874 1.815 0.869 1.00 0.00 C HETATM 34 O5 UNL 1 5.578 2.593 1.737 1.00 0.00 O HETATM 35 C29 UNL 1 6.628 0.539 1.147 1.00 0.00 C HETATM 36 C30 UNL 1 8.078 0.894 0.955 1.00 0.00 C HETATM 37 C31 UNL 1 8.999 0.486 1.828 1.00 0.00 C HETATM 38 C32 UNL 1 10.433 0.813 1.668 1.00 0.00 C HETATM 39 O6 UNL 1 11.135 0.721 2.882 1.00 0.00 O HETATM 40 C33 UNL 1 11.064 -0.168 0.710 1.00 0.00 C HETATM 41 C34 UNL 1 10.440 -0.156 -0.664 1.00 0.00 C HETATM 42 C35 UNL 1 11.131 -1.139 -1.592 1.00 0.00 C HETATM 43 C36 UNL 1 11.041 -2.567 -1.099 1.00 0.00 C HETATM 44 C37 UNL 1 11.707 -3.524 -2.041 1.00 0.00 C HETATM 45 H1 UNL 1 -6.535 -3.760 3.454 1.00 0.00 H HETATM 46 H2 UNL 1 -5.605 -2.412 2.658 1.00 0.00 H HETATM 47 H3 UNL 1 -5.274 -2.823 4.358 1.00 0.00 H HETATM 48 H4 UNL 1 -7.730 -2.148 4.833 1.00 0.00 H HETATM 49 H5 UNL 1 -6.697 -0.777 4.299 1.00 0.00 H HETATM 50 H6 UNL 1 -8.756 -0.619 3.108 1.00 0.00 H HETATM 51 H7 UNL 1 -7.421 -1.002 2.013 1.00 0.00 H HETATM 52 H8 UNL 1 -9.165 -3.227 3.315 1.00 0.00 H HETATM 53 H9 UNL 1 -7.940 -3.369 2.060 1.00 0.00 H HETATM 54 H10 UNL 1 -9.150 -2.489 0.377 1.00 0.00 H HETATM 55 H11 UNL 1 -10.063 -3.721 1.209 1.00 0.00 H HETATM 56 H12 UNL 1 -11.674 -2.149 0.621 1.00 0.00 H HETATM 57 H13 UNL 1 -11.527 -2.311 2.355 1.00 0.00 H HETATM 58 H14 UNL 1 -10.885 -0.029 2.734 1.00 0.00 H HETATM 59 H15 UNL 1 -12.281 -0.234 1.724 1.00 0.00 H HETATM 60 H16 UNL 1 -11.353 0.746 -0.170 1.00 0.00 H HETATM 61 H17 UNL 1 -10.875 1.648 1.248 1.00 0.00 H HETATM 62 H18 UNL 1 -8.623 0.912 1.278 1.00 0.00 H HETATM 63 H19 UNL 1 -8.893 -0.290 -0.015 1.00 0.00 H HETATM 64 H20 UNL 1 -9.529 1.631 -1.504 1.00 0.00 H HETATM 65 H21 UNL 1 -9.196 2.778 -0.122 1.00 0.00 H HETATM 66 H22 UNL 1 -7.188 2.659 -1.531 1.00 0.00 H HETATM 67 H23 UNL 1 -6.816 1.776 -0.047 1.00 0.00 H HETATM 68 H24 UNL 1 -7.207 -0.423 -1.068 1.00 0.00 H HETATM 69 H25 UNL 1 -7.706 0.335 -2.595 1.00 0.00 H HETATM 70 H26 UNL 1 -5.149 -0.296 -2.569 1.00 0.00 H HETATM 71 H27 UNL 1 -5.237 2.375 -1.156 1.00 0.00 H HETATM 72 H28 UNL 1 -2.921 0.568 -1.767 1.00 0.00 H HETATM 73 H29 UNL 1 -2.561 1.081 -3.779 1.00 0.00 H HETATM 74 H30 UNL 1 -2.716 2.289 -0.237 1.00 0.00 H HETATM 75 H31 UNL 1 -2.364 4.686 -0.971 1.00 0.00 H HETATM 76 H32 UNL 1 -2.853 4.196 -2.674 1.00 0.00 H HETATM 77 H33 UNL 1 -4.609 5.112 -1.911 1.00 0.00 H HETATM 78 H34 UNL 1 -0.878 3.112 -2.425 1.00 0.00 H HETATM 79 H35 UNL 1 1.619 2.228 -0.907 1.00 0.00 H HETATM 80 H36 UNL 1 1.162 1.704 -2.603 1.00 0.00 H HETATM 81 H37 UNL 1 1.203 -0.592 -2.006 1.00 0.00 H HETATM 82 H38 UNL 1 2.762 0.239 -1.753 1.00 0.00 H HETATM 83 H39 UNL 1 2.260 0.282 0.762 1.00 0.00 H HETATM 84 H40 UNL 1 0.787 -0.654 0.507 1.00 0.00 H HETATM 85 H41 UNL 1 1.947 -2.418 -0.679 1.00 0.00 H HETATM 86 H42 UNL 1 2.598 -2.128 0.987 1.00 0.00 H HETATM 87 H43 UNL 1 3.989 -1.239 -1.636 1.00 0.00 H HETATM 88 H44 UNL 1 4.366 -2.601 -0.600 1.00 0.00 H HETATM 89 H45 UNL 1 4.201 0.162 0.807 1.00 0.00 H HETATM 90 H46 UNL 1 4.849 -1.388 1.315 1.00 0.00 H HETATM 91 H47 UNL 1 6.765 -1.213 -0.146 1.00 0.00 H HETATM 92 H48 UNL 1 7.265 0.830 -1.350 1.00 0.00 H HETATM 93 H49 UNL 1 5.443 0.998 -2.914 1.00 0.00 H HETATM 94 H50 UNL 1 6.171 2.762 -1.019 1.00 0.00 H HETATM 95 H51 UNL 1 4.547 2.035 -0.842 1.00 0.00 H HETATM 96 H52 UNL 1 6.422 0.114 2.127 1.00 0.00 H HETATM 97 H53 UNL 1 8.413 1.501 0.129 1.00 0.00 H HETATM 98 H54 UNL 1 8.644 -0.096 2.670 1.00 0.00 H HETATM 99 H55 UNL 1 10.541 1.866 1.269 1.00 0.00 H HETATM 100 H56 UNL 1 12.086 0.476 2.707 1.00 0.00 H HETATM 101 H57 UNL 1 12.167 -0.057 0.689 1.00 0.00 H HETATM 102 H58 UNL 1 10.860 -1.196 1.123 1.00 0.00 H HETATM 103 H59 UNL 1 10.396 0.844 -1.129 1.00 0.00 H HETATM 104 H60 UNL 1 9.379 -0.502 -0.544 1.00 0.00 H HETATM 105 H61 UNL 1 12.207 -0.898 -1.676 1.00 0.00 H HETATM 106 H62 UNL 1 10.677 -1.076 -2.593 1.00 0.00 H HETATM 107 H63 UNL 1 9.962 -2.874 -0.971 1.00 0.00 H HETATM 108 H64 UNL 1 11.487 -2.695 -0.095 1.00 0.00 H HETATM 109 H65 UNL 1 10.925 -4.132 -2.568 1.00 0.00 H HETATM 110 H66 UNL 1 12.362 -4.265 -1.502 1.00 0.00 H HETATM 111 H67 UNL 1 12.347 -3.031 -2.796 1.00 0.00 H CONECT 1 2 45 46 47 CONECT 2 3 48 49 CONECT 3 4 50 51 CONECT 4 5 52 53 CONECT 5 6 54 55 CONECT 6 7 56 57 CONECT 7 8 58 59 CONECT 8 9 60 61 CONECT 9 10 62 63 CONECT 10 11 64 65 CONECT 11 12 66 67 CONECT 12 13 68 69 CONECT 13 14 14 70 CONECT 14 15 71 CONECT 15 16 17 72 CONECT 16 73 CONECT 17 18 20 74 CONECT 18 19 75 76 CONECT 19 77 CONECT 20 21 78 CONECT 21 22 22 23 CONECT 23 24 79 80 CONECT 24 25 81 82 CONECT 25 26 83 84 CONECT 26 27 85 86 CONECT 27 28 87 88 CONECT 28 29 89 90 CONECT 29 30 35 91 CONECT 30 31 32 92 CONECT 31 93 CONECT 32 33 94 95 CONECT 33 34 34 35 CONECT 35 36 96 CONECT 36 37 37 97 CONECT 37 38 98 CONECT 38 39 40 99 CONECT 39 100 CONECT 40 41 101 102 CONECT 41 42 103 104 CONECT 42 43 105 106 CONECT 43 44 107 108 CONECT 44 109 110 111 END