COMPND HMDB0302118 HETATM 1 C1 UNL 1 -12.898 0.835 -1.357 1.00 0.00 C HETATM 2 C2 UNL 1 -11.800 0.833 -2.406 1.00 0.00 C HETATM 3 C3 UNL 1 -10.435 0.522 -1.720 1.00 0.00 C HETATM 4 C4 UNL 1 -10.584 -0.800 -1.096 1.00 0.00 C HETATM 5 C5 UNL 1 -9.468 -1.363 -0.347 1.00 0.00 C HETATM 6 C6 UNL 1 -8.191 -1.779 -0.945 1.00 0.00 C HETATM 7 C7 UNL 1 -7.443 -0.738 -1.665 1.00 0.00 C HETATM 8 C8 UNL 1 -6.081 -1.189 -2.151 1.00 0.00 C HETATM 9 C9 UNL 1 -5.114 -1.679 -1.190 1.00 0.00 C HETATM 10 C10 UNL 1 -4.570 -0.880 -0.087 1.00 0.00 C HETATM 11 C11 UNL 1 -5.418 -0.335 0.965 1.00 0.00 C HETATM 12 C12 UNL 1 -4.787 0.422 2.084 1.00 0.00 C HETATM 13 C13 UNL 1 -4.065 1.665 1.862 1.00 0.00 C HETATM 14 C14 UNL 1 -2.870 1.770 1.030 1.00 0.00 C HETATM 15 C15 UNL 1 -1.719 0.880 1.424 1.00 0.00 C HETATM 16 C16 UNL 1 -1.310 1.236 2.816 1.00 0.00 C HETATM 17 C17 UNL 1 -0.182 0.444 3.381 1.00 0.00 C HETATM 18 C18 UNL 1 1.077 0.580 2.564 1.00 0.00 C HETATM 19 C19 UNL 1 2.201 -0.227 3.160 1.00 0.00 C HETATM 20 O1 UNL 1 1.869 -1.588 3.213 1.00 0.00 O HETATM 21 C20 UNL 1 3.501 -0.036 2.432 1.00 0.00 C HETATM 22 C21 UNL 1 3.395 -0.450 0.998 1.00 0.00 C HETATM 23 C22 UNL 1 4.708 -0.276 0.261 1.00 0.00 C HETATM 24 C23 UNL 1 5.180 1.136 0.255 1.00 0.00 C HETATM 25 C24 UNL 1 6.528 1.288 -0.479 1.00 0.00 C HETATM 26 C25 UNL 1 6.418 0.851 -1.894 1.00 0.00 C HETATM 27 C26 UNL 1 7.594 1.069 -2.761 1.00 0.00 C HETATM 28 C27 UNL 1 8.907 0.498 -2.446 1.00 0.00 C HETATM 29 C28 UNL 1 9.637 1.008 -1.271 1.00 0.00 C HETATM 30 C29 UNL 1 10.982 0.304 -1.091 1.00 0.00 C HETATM 31 C30 UNL 1 10.855 -1.170 -0.897 1.00 0.00 C HETATM 32 C31 UNL 1 12.246 -1.762 -0.723 1.00 0.00 C HETATM 33 C32 UNL 1 12.951 -1.162 0.483 1.00 0.00 C HETATM 34 H1 UNL 1 -12.448 1.058 -0.377 1.00 0.00 H HETATM 35 H2 UNL 1 -13.370 -0.179 -1.269 1.00 0.00 H HETATM 36 H3 UNL 1 -13.669 1.581 -1.667 1.00 0.00 H HETATM 37 H4 UNL 1 -11.693 1.820 -2.892 1.00 0.00 H HETATM 38 H5 UNL 1 -11.997 0.084 -3.195 1.00 0.00 H HETATM 39 H6 UNL 1 -10.357 1.346 -0.953 1.00 0.00 H HETATM 40 H7 UNL 1 -9.671 0.717 -2.451 1.00 0.00 H HETATM 41 H8 UNL 1 -11.515 -0.759 -0.457 1.00 0.00 H HETATM 42 H9 UNL 1 -10.826 -1.537 -1.935 1.00 0.00 H HETATM 43 H10 UNL 1 -9.247 -0.701 0.588 1.00 0.00 H HETATM 44 H11 UNL 1 -9.869 -2.303 0.205 1.00 0.00 H HETATM 45 H12 UNL 1 -8.405 -2.685 -1.611 1.00 0.00 H HETATM 46 H13 UNL 1 -7.595 -2.241 -0.100 1.00 0.00 H HETATM 47 H14 UNL 1 -8.069 -0.615 -2.656 1.00 0.00 H HETATM 48 H15 UNL 1 -7.524 0.237 -1.229 1.00 0.00 H HETATM 49 H16 UNL 1 -6.325 -2.042 -2.861 1.00 0.00 H HETATM 50 H17 UNL 1 -5.657 -0.427 -2.879 1.00 0.00 H HETATM 51 H18 UNL 1 -5.494 -2.703 -0.824 1.00 0.00 H HETATM 52 H19 UNL 1 -4.193 -2.037 -1.777 1.00 0.00 H HETATM 53 H20 UNL 1 -3.785 -1.546 0.418 1.00 0.00 H HETATM 54 H21 UNL 1 -3.910 -0.055 -0.492 1.00 0.00 H HETATM 55 H22 UNL 1 -5.973 -1.194 1.486 1.00 0.00 H HETATM 56 H23 UNL 1 -6.267 0.300 0.622 1.00 0.00 H HETATM 57 H24 UNL 1 -4.221 -0.326 2.721 1.00 0.00 H HETATM 58 H25 UNL 1 -5.665 0.659 2.791 1.00 0.00 H HETATM 59 H26 UNL 1 -4.825 2.401 1.410 1.00 0.00 H HETATM 60 H27 UNL 1 -3.880 2.192 2.869 1.00 0.00 H HETATM 61 H28 UNL 1 -2.949 1.840 -0.056 1.00 0.00 H HETATM 62 H29 UNL 1 -2.439 2.833 1.278 1.00 0.00 H HETATM 63 H30 UNL 1 -0.867 1.156 0.744 1.00 0.00 H HETATM 64 H31 UNL 1 -1.904 -0.182 1.262 1.00 0.00 H HETATM 65 H32 UNL 1 -2.183 1.241 3.521 1.00 0.00 H HETATM 66 H33 UNL 1 -0.971 2.315 2.816 1.00 0.00 H HETATM 67 H34 UNL 1 -0.449 -0.624 3.490 1.00 0.00 H HETATM 68 H35 UNL 1 0.017 0.825 4.401 1.00 0.00 H HETATM 69 H36 UNL 1 0.899 0.247 1.507 1.00 0.00 H HETATM 70 H37 UNL 1 1.407 1.638 2.534 1.00 0.00 H HETATM 71 H38 UNL 1 2.302 0.118 4.224 1.00 0.00 H HETATM 72 H39 UNL 1 2.744 -2.083 3.293 1.00 0.00 H HETATM 73 H40 UNL 1 3.821 1.028 2.558 1.00 0.00 H HETATM 74 H41 UNL 1 4.274 -0.653 2.928 1.00 0.00 H HETATM 75 H42 UNL 1 3.139 -1.513 0.959 1.00 0.00 H HETATM 76 H43 UNL 1 2.624 0.120 0.450 1.00 0.00 H HETATM 77 H44 UNL 1 4.511 -0.616 -0.780 1.00 0.00 H HETATM 78 H45 UNL 1 5.470 -0.931 0.716 1.00 0.00 H HETATM 79 H46 UNL 1 4.471 1.784 -0.309 1.00 0.00 H HETATM 80 H47 UNL 1 5.283 1.567 1.270 1.00 0.00 H HETATM 81 H48 UNL 1 7.178 0.547 0.099 1.00 0.00 H HETATM 82 H49 UNL 1 6.856 2.313 -0.340 1.00 0.00 H HETATM 83 H50 UNL 1 5.508 1.381 -2.309 1.00 0.00 H HETATM 84 H51 UNL 1 6.081 -0.238 -1.952 1.00 0.00 H HETATM 85 H52 UNL 1 7.295 0.700 -3.821 1.00 0.00 H HETATM 86 H53 UNL 1 7.710 2.201 -2.978 1.00 0.00 H HETATM 87 H54 UNL 1 8.810 -0.629 -2.321 1.00 0.00 H HETATM 88 H55 UNL 1 9.570 0.670 -3.357 1.00 0.00 H HETATM 89 H56 UNL 1 9.964 2.080 -1.540 1.00 0.00 H HETATM 90 H57 UNL 1 9.116 1.106 -0.349 1.00 0.00 H HETATM 91 H58 UNL 1 11.487 0.730 -0.186 1.00 0.00 H HETATM 92 H59 UNL 1 11.612 0.517 -1.970 1.00 0.00 H HETATM 93 H60 UNL 1 10.437 -1.688 -1.800 1.00 0.00 H HETATM 94 H61 UNL 1 10.246 -1.459 -0.041 1.00 0.00 H HETATM 95 H62 UNL 1 12.852 -1.668 -1.646 1.00 0.00 H HETATM 96 H63 UNL 1 12.107 -2.852 -0.511 1.00 0.00 H HETATM 97 H64 UNL 1 13.569 -1.925 0.974 1.00 0.00 H HETATM 98 H65 UNL 1 12.163 -0.870 1.210 1.00 0.00 H HETATM 99 H66 UNL 1 13.581 -0.337 0.145 1.00 0.00 H CONECT 1 2 34 35 36 CONECT 2 3 37 38 CONECT 3 4 39 40 CONECT 4 5 41 42 CONECT 5 6 43 44 CONECT 6 7 45 46 CONECT 7 8 47 48 CONECT 8 9 49 50 CONECT 9 10 51 52 CONECT 10 11 53 54 CONECT 11 12 55 56 CONECT 12 13 57 58 CONECT 13 14 59 60 CONECT 14 15 61 62 CONECT 15 16 63 64 CONECT 16 17 65 66 CONECT 17 18 67 68 CONECT 18 19 69 70 CONECT 19 20 21 71 CONECT 20 72 CONECT 21 22 73 74 CONECT 22 23 75 76 CONECT 23 24 77 78 CONECT 24 25 79 80 CONECT 25 26 81 82 CONECT 26 27 83 84 CONECT 27 28 85 86 CONECT 28 29 87 88 CONECT 29 30 89 90 CONECT 30 31 91 92 CONECT 31 32 93 94 CONECT 32 33 95 96 CONECT 33 97 98 99 END