COMPND HMDB0036525 HETATM 1 C1 UNL 1 3.305 -1.582 0.656 1.00 0.00 C HETATM 2 O1 UNL 1 2.836 -0.481 -0.122 1.00 0.00 O HETATM 3 C2 UNL 1 1.479 -0.337 0.025 1.00 0.00 C HETATM 4 C3 UNL 1 0.993 0.650 0.886 1.00 0.00 C HETATM 5 C4 UNL 1 -0.405 0.761 1.065 1.00 0.00 C HETATM 6 C5 UNL 1 -1.311 -0.169 0.559 1.00 0.00 C HETATM 7 C6 UNL 1 -0.808 -1.105 -0.351 1.00 0.00 C HETATM 8 O2 UNL 1 -1.642 -2.037 -0.911 1.00 0.00 O HETATM 9 C7 UNL 1 -2.260 -1.593 -2.142 1.00 0.00 C HETATM 10 O3 UNL 1 -1.564 -0.539 -2.814 1.00 0.00 O HETATM 11 C8 UNL 1 -1.578 -0.586 -4.247 1.00 0.00 C HETATM 12 C9 UNL 1 -1.282 0.832 -4.750 1.00 0.00 C HETATM 13 O4 UNL 1 -1.117 0.849 -6.164 1.00 0.00 O HETATM 14 C10 UNL 1 -2.890 -1.147 -4.826 1.00 0.00 C HETATM 15 O5 UNL 1 -3.987 -0.299 -4.439 1.00 0.00 O HETATM 16 C11 UNL 1 -3.171 -2.561 -4.289 1.00 0.00 C HETATM 17 O6 UNL 1 -2.850 -3.546 -5.282 1.00 0.00 O HETATM 18 C12 UNL 1 -2.401 -2.865 -3.001 1.00 0.00 C HETATM 19 O7 UNL 1 -1.105 -3.405 -3.358 1.00 0.00 O HETATM 20 C13 UNL 1 0.571 -1.170 -0.654 1.00 0.00 C HETATM 21 O8 UNL 1 0.964 -2.134 -1.558 1.00 0.00 O HETATM 22 C14 UNL 1 1.771 -1.589 -2.606 1.00 0.00 C HETATM 23 C15 UNL 1 -2.744 -0.136 1.044 1.00 0.00 C HETATM 24 C16 UNL 1 -2.919 -0.335 2.575 1.00 0.00 C HETATM 25 C17 UNL 1 -2.777 0.946 3.431 1.00 0.00 C HETATM 26 C18 UNL 1 -1.602 0.893 4.435 1.00 0.00 C HETATM 27 C19 UNL 1 -1.182 2.273 4.978 1.00 0.00 C HETATM 28 O9 UNL 1 -0.892 3.172 3.911 1.00 0.00 O HETATM 29 C20 UNL 1 0.014 2.290 5.961 1.00 0.00 C HETATM 30 C21 UNL 1 1.345 1.600 5.582 1.00 0.00 C HETATM 31 C22 UNL 1 1.907 1.941 4.226 1.00 0.00 C HETATM 32 C23 UNL 1 2.514 3.162 3.930 1.00 0.00 C HETATM 33 C24 UNL 1 2.803 3.501 2.599 1.00 0.00 C HETATM 34 C25 UNL 1 2.403 2.659 1.554 1.00 0.00 C HETATM 35 O10 UNL 1 2.537 3.065 0.256 1.00 0.00 O HETATM 36 C26 UNL 1 1.799 1.435 1.833 1.00 0.00 C HETATM 37 C27 UNL 1 1.679 1.048 3.180 1.00 0.00 C HETATM 38 H1 UNL 1 4.398 -1.572 0.621 1.00 0.00 H HETATM 39 H2 UNL 1 3.001 -1.496 1.705 1.00 0.00 H HETATM 40 H3 UNL 1 2.964 -2.536 0.241 1.00 0.00 H HETATM 41 H4 UNL 1 -0.762 1.552 1.721 1.00 0.00 H HETATM 42 H5 UNL 1 -3.257 -1.219 -1.882 1.00 0.00 H HETATM 43 H6 UNL 1 -0.750 -1.228 -4.574 1.00 0.00 H HETATM 44 H7 UNL 1 -0.361 1.206 -4.289 1.00 0.00 H HETATM 45 H8 UNL 1 -2.084 1.525 -4.474 1.00 0.00 H HETATM 46 H9 UNL 1 -0.930 1.773 -6.408 1.00 0.00 H HETATM 47 H10 UNL 1 -2.846 -1.150 -5.921 1.00 0.00 H HETATM 48 H11 UNL 1 -4.704 -0.473 -5.076 1.00 0.00 H HETATM 49 H12 UNL 1 -4.244 -2.658 -4.088 1.00 0.00 H HETATM 50 H13 UNL 1 -1.948 -3.857 -5.049 1.00 0.00 H HETATM 51 H14 UNL 1 -2.902 -3.662 -2.440 1.00 0.00 H HETATM 52 H15 UNL 1 -0.531 -3.250 -2.574 1.00 0.00 H HETATM 53 H16 UNL 1 1.603 -2.195 -3.502 1.00 0.00 H HETATM 54 H17 UNL 1 1.507 -0.554 -2.851 1.00 0.00 H HETATM 55 H18 UNL 1 2.831 -1.670 -2.350 1.00 0.00 H HETATM 56 H19 UNL 1 -3.212 0.802 0.721 1.00 0.00 H HETATM 57 H20 UNL 1 -3.309 -0.937 0.554 1.00 0.00 H HETATM 58 H21 UNL 1 -3.943 -0.702 2.728 1.00 0.00 H HETATM 59 H22 UNL 1 -2.254 -1.130 2.935 1.00 0.00 H HETATM 60 H23 UNL 1 -3.699 1.084 4.011 1.00 0.00 H HETATM 61 H24 UNL 1 -2.710 1.819 2.776 1.00 0.00 H HETATM 62 H25 UNL 1 -1.874 0.240 5.273 1.00 0.00 H HETATM 63 H26 UNL 1 -0.761 0.418 3.938 1.00 0.00 H HETATM 64 H27 UNL 1 -2.038 2.701 5.516 1.00 0.00 H HETATM 65 H28 UNL 1 -1.733 3.510 3.560 1.00 0.00 H HETATM 66 H29 UNL 1 0.246 3.343 6.174 1.00 0.00 H HETATM 67 H30 UNL 1 -0.319 1.849 6.909 1.00 0.00 H HETATM 68 H31 UNL 1 1.211 0.514 5.663 1.00 0.00 H HETATM 69 H32 UNL 1 2.099 1.851 6.340 1.00 0.00 H HETATM 70 H33 UNL 1 2.721 3.877 4.722 1.00 0.00 H HETATM 71 H34 UNL 1 3.260 4.464 2.394 1.00 0.00 H HETATM 72 H35 UNL 1 2.981 3.926 0.245 1.00 0.00 H HETATM 73 H36 UNL 1 1.234 0.079 3.399 1.00 0.00 H CONECT 1 2 38 39 40 CONECT 2 3 CONECT 3 4 4 20 CONECT 4 5 36 CONECT 5 6 6 41 CONECT 6 7 23 CONECT 7 8 20 20 CONECT 8 9 CONECT 9 10 18 42 CONECT 10 11 CONECT 11 12 14 43 CONECT 12 13 44 45 CONECT 13 46 CONECT 14 15 16 47 CONECT 15 48 CONECT 16 17 18 49 CONECT 17 50 CONECT 18 19 51 CONECT 19 52 CONECT 20 21 CONECT 21 22 CONECT 22 53 54 55 CONECT 23 24 56 57 CONECT 24 25 58 59 CONECT 25 26 60 61 CONECT 26 27 62 63 CONECT 27 28 29 64 CONECT 28 65 CONECT 29 30 66 67 CONECT 30 31 68 69 CONECT 31 32 37 37 CONECT 32 33 33 70 CONECT 33 34 71 CONECT 34 35 36 36 CONECT 35 72 CONECT 36 37 CONECT 37 73 END