COMPND HMDB0039597 HETATM 1 C1 UNL 1 -2.015 -0.594 -3.119 1.00 0.00 C HETATM 2 C2 UNL 1 -2.104 -1.736 -2.170 1.00 0.00 C HETATM 3 C3 UNL 1 -1.987 -3.112 -2.707 1.00 0.00 C HETATM 4 C4 UNL 1 -2.284 -1.546 -0.869 1.00 0.00 C HETATM 5 C5 UNL 1 -2.400 -0.204 -0.337 1.00 0.00 C HETATM 6 C6 UNL 1 -1.244 0.180 0.665 1.00 0.00 C HETATM 7 C7 UNL 1 -1.269 -0.741 1.828 1.00 0.00 C HETATM 8 C8 UNL 1 -0.146 -1.690 1.613 1.00 0.00 C HETATM 9 C9 UNL 1 -0.214 -3.047 2.113 1.00 0.00 C HETATM 10 C10 UNL 1 -1.334 -3.940 1.770 1.00 0.00 C HETATM 11 C11 UNL 1 -0.182 -2.942 3.665 1.00 0.00 C HETATM 12 O1 UNL 1 1.011 -3.685 1.825 1.00 0.00 O HETATM 13 O2 UNL 1 0.106 -1.536 0.185 1.00 0.00 O HETATM 14 C12 UNL 1 0.022 -0.104 0.003 1.00 0.00 C HETATM 15 C13 UNL 1 0.769 0.793 -0.545 1.00 0.00 C HETATM 16 C14 UNL 1 2.051 0.433 -1.223 1.00 0.00 C HETATM 17 C15 UNL 1 2.435 -0.992 -1.161 1.00 0.00 C HETATM 18 O3 UNL 1 2.667 -1.671 0.008 1.00 0.00 O HETATM 19 C16 UNL 1 3.862 -1.268 -0.735 1.00 0.00 C HETATM 20 C17 UNL 1 4.629 -0.206 -0.009 1.00 0.00 C HETATM 21 C18 UNL 1 4.624 -2.396 -1.347 1.00 0.00 C HETATM 22 C19 UNL 1 0.453 2.247 -0.406 1.00 0.00 C HETATM 23 O4 UNL 1 1.176 3.101 -0.916 1.00 0.00 O HETATM 24 C20 UNL 1 -0.743 2.543 0.361 1.00 0.00 C HETATM 25 C21 UNL 1 -1.140 3.938 0.628 1.00 0.00 C HETATM 26 O5 UNL 1 -2.141 4.167 1.315 1.00 0.00 O HETATM 27 C22 UNL 1 -0.385 5.103 0.099 1.00 0.00 C HETATM 28 C23 UNL 1 -0.975 6.393 0.692 1.00 0.00 C HETATM 29 C24 UNL 1 -0.694 5.167 -1.394 1.00 0.00 C HETATM 30 C25 UNL 1 -1.510 1.597 0.862 1.00 0.00 C HETATM 31 O6 UNL 1 -2.649 1.961 1.631 1.00 0.00 O HETATM 32 H1 UNL 1 -2.023 -0.915 -4.167 1.00 0.00 H HETATM 33 H2 UNL 1 -2.897 0.095 -3.007 1.00 0.00 H HETATM 34 H3 UNL 1 -1.133 0.047 -2.859 1.00 0.00 H HETATM 35 H4 UNL 1 -2.751 -3.767 -2.197 1.00 0.00 H HETATM 36 H5 UNL 1 -2.288 -3.096 -3.774 1.00 0.00 H HETATM 37 H6 UNL 1 -0.961 -3.500 -2.545 1.00 0.00 H HETATM 38 H7 UNL 1 -2.356 -2.405 -0.241 1.00 0.00 H HETATM 39 H8 UNL 1 -2.358 0.582 -1.102 1.00 0.00 H HETATM 40 H9 UNL 1 -3.311 -0.059 0.278 1.00 0.00 H HETATM 41 H10 UNL 1 -2.265 -1.285 1.794 1.00 0.00 H HETATM 42 H11 UNL 1 -1.210 -0.212 2.811 1.00 0.00 H HETATM 43 H12 UNL 1 0.764 -1.179 2.098 1.00 0.00 H HETATM 44 H13 UNL 1 -2.335 -3.516 1.879 1.00 0.00 H HETATM 45 H14 UNL 1 -1.304 -4.808 2.495 1.00 0.00 H HETATM 46 H15 UNL 1 -1.171 -4.416 0.776 1.00 0.00 H HETATM 47 H16 UNL 1 0.481 -2.091 3.925 1.00 0.00 H HETATM 48 H17 UNL 1 0.296 -3.846 4.074 1.00 0.00 H HETATM 49 H18 UNL 1 -1.210 -2.775 4.045 1.00 0.00 H HETATM 50 H19 UNL 1 1.715 -3.395 2.458 1.00 0.00 H HETATM 51 H20 UNL 1 2.032 0.781 -2.291 1.00 0.00 H HETATM 52 H21 UNL 1 2.836 1.075 -0.723 1.00 0.00 H HETATM 53 H22 UNL 1 2.093 -1.655 -1.994 1.00 0.00 H HETATM 54 H23 UNL 1 4.920 0.650 -0.665 1.00 0.00 H HETATM 55 H24 UNL 1 4.078 0.219 0.857 1.00 0.00 H HETATM 56 H25 UNL 1 5.549 -0.674 0.411 1.00 0.00 H HETATM 57 H26 UNL 1 4.375 -2.485 -2.430 1.00 0.00 H HETATM 58 H27 UNL 1 4.357 -3.356 -0.838 1.00 0.00 H HETATM 59 H28 UNL 1 5.708 -2.195 -1.244 1.00 0.00 H HETATM 60 H29 UNL 1 0.675 5.100 0.331 1.00 0.00 H HETATM 61 H30 UNL 1 -2.071 6.266 0.667 1.00 0.00 H HETATM 62 H31 UNL 1 -0.577 6.442 1.740 1.00 0.00 H HETATM 63 H32 UNL 1 -0.619 7.239 0.081 1.00 0.00 H HETATM 64 H33 UNL 1 0.206 5.413 -1.968 1.00 0.00 H HETATM 65 H34 UNL 1 -1.459 5.959 -1.564 1.00 0.00 H HETATM 66 H35 UNL 1 -1.133 4.233 -1.744 1.00 0.00 H HETATM 67 H36 UNL 1 -3.039 1.317 2.304 1.00 0.00 H CONECT 1 2 32 33 34 CONECT 2 3 4 4 CONECT 3 35 36 37 CONECT 4 5 38 CONECT 5 6 39 40 CONECT 6 7 14 30 CONECT 7 8 41 42 CONECT 8 9 13 43 CONECT 9 10 11 12 CONECT 10 44 45 46 CONECT 11 47 48 49 CONECT 12 50 CONECT 13 14 CONECT 14 15 15 CONECT 15 16 22 CONECT 16 17 51 52 CONECT 17 18 19 53 CONECT 18 19 CONECT 19 20 21 CONECT 20 54 55 56 CONECT 21 57 58 59 CONECT 22 23 23 24 CONECT 24 25 30 30 CONECT 25 26 26 27 CONECT 27 28 29 60 CONECT 28 61 62 63 CONECT 29 64 65 66 CONECT 30 31 CONECT 31 67 END