COMPND HMDB0301795 HETATM 1 C1 UNL 1 6.526 -1.446 0.288 1.00 0.00 C HETATM 2 C2 UNL 1 5.615 -0.459 0.943 1.00 0.00 C HETATM 3 C3 UNL 1 6.428 0.610 1.667 1.00 0.00 C HETATM 4 C4 UNL 1 4.689 0.151 -0.064 1.00 0.00 C HETATM 5 C5 UNL 1 3.775 1.167 0.621 1.00 0.00 C HETATM 6 C6 UNL 1 3.799 -0.832 -0.771 1.00 0.00 C HETATM 7 O1 UNL 1 4.434 -1.813 -1.471 1.00 0.00 O HETATM 8 C7 UNL 1 2.676 -1.305 0.136 1.00 0.00 C HETATM 9 O2 UNL 1 3.262 -2.245 1.024 1.00 0.00 O HETATM 10 C8 UNL 1 1.539 -1.922 -0.628 1.00 0.00 C HETATM 11 C9 UNL 1 2.104 -3.111 -1.388 1.00 0.00 C HETATM 12 C10 UNL 1 0.389 -2.336 0.204 1.00 0.00 C HETATM 13 C11 UNL 1 -0.683 -3.037 -0.671 1.00 0.00 C HETATM 14 C12 UNL 1 -1.905 -3.024 0.239 1.00 0.00 C HETATM 15 C13 UNL 1 -1.886 -1.580 0.745 1.00 0.00 C HETATM 16 C14 UNL 1 -2.528 -0.682 -0.266 1.00 0.00 C HETATM 17 C15 UNL 1 -4.038 -0.816 -0.079 1.00 0.00 C HETATM 18 C16 UNL 1 -4.824 0.110 -0.945 1.00 0.00 C HETATM 19 C17 UNL 1 -4.020 1.276 -1.403 1.00 0.00 C HETATM 20 C18 UNL 1 -4.886 2.371 -1.987 1.00 0.00 C HETATM 21 C19 UNL 1 -3.907 3.358 -2.615 1.00 0.00 C HETATM 22 O3 UNL 1 -4.524 4.294 -3.399 1.00 0.00 O HETATM 23 C20 UNL 1 -3.180 4.005 -1.458 1.00 0.00 C HETATM 24 O4 UNL 1 -2.261 4.945 -1.979 1.00 0.00 O HETATM 25 C21 UNL 1 -2.419 3.050 -0.624 1.00 0.00 C HETATM 26 C22 UNL 1 -3.128 1.773 -0.292 1.00 0.00 C HETATM 27 C23 UNL 1 -3.927 2.006 0.990 1.00 0.00 C HETATM 28 C24 UNL 1 -2.067 0.720 -0.094 1.00 0.00 C HETATM 29 C25 UNL 1 -1.342 0.871 1.222 1.00 0.00 C HETATM 30 C26 UNL 1 -0.030 0.069 0.978 1.00 0.00 C HETATM 31 C27 UNL 1 -0.401 -1.366 0.963 1.00 0.00 C HETATM 32 C28 UNL 1 -0.238 -1.795 2.460 1.00 0.00 C HETATM 33 H1 UNL 1 6.294 -2.499 0.469 1.00 0.00 H HETATM 34 H2 UNL 1 6.580 -1.215 -0.817 1.00 0.00 H HETATM 35 H3 UNL 1 7.581 -1.220 0.632 1.00 0.00 H HETATM 36 H4 UNL 1 5.048 -0.977 1.743 1.00 0.00 H HETATM 37 H5 UNL 1 7.421 0.155 1.868 1.00 0.00 H HETATM 38 H6 UNL 1 6.539 1.482 0.991 1.00 0.00 H HETATM 39 H7 UNL 1 5.985 0.870 2.632 1.00 0.00 H HETATM 40 H8 UNL 1 5.264 0.728 -0.826 1.00 0.00 H HETATM 41 H9 UNL 1 4.321 2.140 0.652 1.00 0.00 H HETATM 42 H10 UNL 1 2.871 1.303 0.027 1.00 0.00 H HETATM 43 H11 UNL 1 3.550 0.879 1.665 1.00 0.00 H HETATM 44 H12 UNL 1 3.247 -0.196 -1.547 1.00 0.00 H HETATM 45 H13 UNL 1 4.745 -1.468 -2.351 1.00 0.00 H HETATM 46 H14 UNL 1 2.336 -0.508 0.795 1.00 0.00 H HETATM 47 H15 UNL 1 3.950 -2.786 0.618 1.00 0.00 H HETATM 48 H16 UNL 1 1.247 -1.207 -1.448 1.00 0.00 H HETATM 49 H17 UNL 1 2.536 -2.741 -2.367 1.00 0.00 H HETATM 50 H18 UNL 1 2.918 -3.625 -0.885 1.00 0.00 H HETATM 51 H19 UNL 1 1.297 -3.813 -1.738 1.00 0.00 H HETATM 52 H20 UNL 1 0.762 -3.189 0.845 1.00 0.00 H HETATM 53 H21 UNL 1 -0.918 -2.499 -1.571 1.00 0.00 H HETATM 54 H22 UNL 1 -0.458 -4.081 -0.858 1.00 0.00 H HETATM 55 H23 UNL 1 -1.766 -3.691 1.097 1.00 0.00 H HETATM 56 H24 UNL 1 -2.816 -3.202 -0.328 1.00 0.00 H HETATM 57 H25 UNL 1 -2.486 -1.548 1.660 1.00 0.00 H HETATM 58 H26 UNL 1 -2.325 -1.069 -1.283 1.00 0.00 H HETATM 59 H27 UNL 1 -4.310 -0.735 1.011 1.00 0.00 H HETATM 60 H28 UNL 1 -4.310 -1.852 -0.364 1.00 0.00 H HETATM 61 H29 UNL 1 -5.782 0.423 -0.437 1.00 0.00 H HETATM 62 H30 UNL 1 -5.185 -0.425 -1.872 1.00 0.00 H HETATM 63 H31 UNL 1 -3.347 0.929 -2.223 1.00 0.00 H HETATM 64 H32 UNL 1 -5.416 2.932 -1.170 1.00 0.00 H HETATM 65 H33 UNL 1 -5.566 1.929 -2.713 1.00 0.00 H HETATM 66 H34 UNL 1 -3.161 2.732 -3.177 1.00 0.00 H HETATM 67 H35 UNL 1 -4.168 4.204 -4.330 1.00 0.00 H HETATM 68 H36 UNL 1 -3.942 4.600 -0.900 1.00 0.00 H HETATM 69 H37 UNL 1 -1.575 5.072 -1.275 1.00 0.00 H HETATM 70 H38 UNL 1 -2.158 3.563 0.340 1.00 0.00 H HETATM 71 H39 UNL 1 -1.433 2.845 -1.114 1.00 0.00 H HETATM 72 H40 UNL 1 -3.859 3.075 1.319 1.00 0.00 H HETATM 73 H41 UNL 1 -3.578 1.400 1.825 1.00 0.00 H HETATM 74 H42 UNL 1 -5.009 1.816 0.838 1.00 0.00 H HETATM 75 H43 UNL 1 -1.296 0.917 -0.897 1.00 0.00 H HETATM 76 H44 UNL 1 -1.124 1.912 1.458 1.00 0.00 H HETATM 77 H45 UNL 1 -1.847 0.345 2.055 1.00 0.00 H HETATM 78 H46 UNL 1 0.385 0.509 0.088 1.00 0.00 H HETATM 79 H47 UNL 1 0.601 0.384 1.862 1.00 0.00 H HETATM 80 H48 UNL 1 -0.340 -2.887 2.463 1.00 0.00 H HETATM 81 H49 UNL 1 0.714 -1.409 2.833 1.00 0.00 H HETATM 82 H50 UNL 1 -1.060 -1.307 3.022 1.00 0.00 H CONECT 1 2 33 34 35 CONECT 2 3 4 36 CONECT 3 37 38 39 CONECT 4 5 6 40 CONECT 5 41 42 43 CONECT 6 7 8 44 CONECT 7 45 CONECT 8 9 10 46 CONECT 9 47 CONECT 10 11 12 48 CONECT 11 49 50 51 CONECT 12 13 31 52 CONECT 13 14 53 54 CONECT 14 15 55 56 CONECT 15 16 31 57 CONECT 16 17 28 58 CONECT 17 18 59 60 CONECT 18 19 61 62 CONECT 19 20 26 63 CONECT 20 21 64 65 CONECT 21 22 23 66 CONECT 22 67 CONECT 23 24 25 68 CONECT 24 69 CONECT 25 26 70 71 CONECT 26 27 28 CONECT 27 72 73 74 CONECT 28 29 75 CONECT 29 30 76 77 CONECT 30 31 78 79 CONECT 31 32 CONECT 32 80 81 82 END