COMPND HMDB0037208 HETATM 1 C1 UNL 1 -6.607 4.321 -2.743 1.00 0.00 C HETATM 2 C2 UNL 1 -5.471 3.407 -2.506 1.00 0.00 C HETATM 3 O1 UNL 1 -5.621 2.192 -2.850 1.00 0.00 O HETATM 4 O2 UNL 1 -4.281 3.816 -1.937 1.00 0.00 O HETATM 5 C3 UNL 1 -3.220 2.922 -1.719 1.00 0.00 C HETATM 6 C4 UNL 1 -3.556 1.807 -0.782 1.00 0.00 C HETATM 7 O3 UNL 1 -2.428 0.990 -0.645 1.00 0.00 O HETATM 8 C5 UNL 1 -2.382 0.570 0.704 1.00 0.00 C HETATM 9 O4 UNL 1 -1.331 -0.319 0.959 1.00 0.00 O HETATM 10 C6 UNL 1 -0.021 0.035 0.927 1.00 0.00 C HETATM 11 C7 UNL 1 0.674 0.586 1.940 1.00 0.00 C HETATM 12 C8 UNL 1 0.102 0.869 3.227 1.00 0.00 C HETATM 13 C9 UNL 1 0.816 1.739 4.076 1.00 0.00 C HETATM 14 C10 UNL 1 0.379 2.044 5.344 1.00 0.00 C HETATM 15 C11 UNL 1 -0.782 1.507 5.843 1.00 0.00 C HETATM 16 O5 UNL 1 -1.235 1.815 7.137 1.00 0.00 O HETATM 17 C12 UNL 1 -1.507 0.656 5.055 1.00 0.00 C HETATM 18 C13 UNL 1 -1.044 0.358 3.766 1.00 0.00 C HETATM 19 O6 UNL 1 1.984 0.904 1.761 1.00 0.00 O HETATM 20 C14 UNL 1 2.604 0.693 0.641 1.00 0.00 C HETATM 21 C15 UNL 1 3.959 1.036 0.495 1.00 0.00 C HETATM 22 C16 UNL 1 4.640 0.819 -0.670 1.00 0.00 C HETATM 23 O7 UNL 1 5.959 1.170 -0.790 1.00 0.00 O HETATM 24 C17 UNL 1 6.854 0.839 -1.808 1.00 0.00 C HETATM 25 O8 UNL 1 6.441 1.477 -2.994 1.00 0.00 O HETATM 26 C18 UNL 1 7.200 1.073 -4.078 1.00 0.00 C HETATM 27 C19 UNL 1 7.236 -0.423 -4.308 1.00 0.00 C HETATM 28 O9 UNL 1 6.026 -1.021 -4.519 1.00 0.00 O HETATM 29 C20 UNL 1 8.612 1.610 -3.922 1.00 0.00 C HETATM 30 O10 UNL 1 9.482 0.613 -4.387 1.00 0.00 O HETATM 31 C21 UNL 1 8.943 2.011 -2.510 1.00 0.00 C HETATM 32 O11 UNL 1 10.317 1.885 -2.332 1.00 0.00 O HETATM 33 C22 UNL 1 8.266 1.122 -1.474 1.00 0.00 C HETATM 34 O12 UNL 1 9.003 -0.020 -1.178 1.00 0.00 O HETATM 35 C23 UNL 1 3.957 0.240 -1.743 1.00 0.00 C HETATM 36 C24 UNL 1 2.621 -0.105 -1.633 1.00 0.00 C HETATM 37 O13 UNL 1 1.928 -0.683 -2.704 1.00 0.00 O HETATM 38 C25 UNL 1 1.958 0.125 -0.448 1.00 0.00 C HETATM 39 C26 UNL 1 0.631 -0.204 -0.296 1.00 0.00 C HETATM 40 O14 UNL 1 0.033 -0.720 -1.284 1.00 0.00 O HETATM 41 C27 UNL 1 -3.712 -0.015 0.995 1.00 0.00 C HETATM 42 O15 UNL 1 -3.759 -1.069 1.852 1.00 0.00 O HETATM 43 C28 UNL 1 -4.156 -2.276 1.325 1.00 0.00 C HETATM 44 O16 UNL 1 -3.098 -3.181 1.542 1.00 0.00 O HETATM 45 C29 UNL 1 -3.414 -4.407 0.953 1.00 0.00 C HETATM 46 C30 UNL 1 -2.241 -5.327 1.101 1.00 0.00 C HETATM 47 O17 UNL 1 -1.092 -4.855 0.505 1.00 0.00 O HETATM 48 C31 UNL 1 -4.592 -5.048 1.687 1.00 0.00 C HETATM 49 O18 UNL 1 -4.794 -6.286 1.076 1.00 0.00 O HETATM 50 C32 UNL 1 -5.793 -4.173 1.630 1.00 0.00 C HETATM 51 O19 UNL 1 -6.752 -4.590 2.566 1.00 0.00 O HETATM 52 C33 UNL 1 -5.405 -2.755 2.024 1.00 0.00 C HETATM 53 O20 UNL 1 -6.493 -1.972 1.559 1.00 0.00 O HETATM 54 C34 UNL 1 -4.723 1.095 1.252 1.00 0.00 C HETATM 55 O21 UNL 1 -5.941 0.867 0.621 1.00 0.00 O HETATM 56 C35 UNL 1 -4.121 2.307 0.513 1.00 0.00 C HETATM 57 O22 UNL 1 -5.206 3.150 0.194 1.00 0.00 O HETATM 58 H1 UNL 1 -7.262 3.917 -3.563 1.00 0.00 H HETATM 59 H2 UNL 1 -7.161 4.492 -1.813 1.00 0.00 H HETATM 60 H3 UNL 1 -6.196 5.285 -3.118 1.00 0.00 H HETATM 61 H4 UNL 1 -2.288 3.443 -1.403 1.00 0.00 H HETATM 62 H5 UNL 1 -2.958 2.423 -2.702 1.00 0.00 H HETATM 63 H6 UNL 1 -4.340 1.157 -1.242 1.00 0.00 H HETATM 64 H7 UNL 1 -2.143 1.479 1.324 1.00 0.00 H HETATM 65 H8 UNL 1 1.727 2.174 3.709 1.00 0.00 H HETATM 66 H9 UNL 1 0.923 2.714 6.001 1.00 0.00 H HETATM 67 H10 UNL 1 -0.708 2.448 7.733 1.00 0.00 H HETATM 68 H11 UNL 1 -2.432 0.204 5.405 1.00 0.00 H HETATM 69 H12 UNL 1 -1.620 -0.333 3.205 1.00 0.00 H HETATM 70 H13 UNL 1 4.460 1.479 1.338 1.00 0.00 H HETATM 71 H14 UNL 1 6.694 -0.262 -2.010 1.00 0.00 H HETATM 72 H15 UNL 1 6.770 1.532 -4.983 1.00 0.00 H HETATM 73 H16 UNL 1 7.862 -0.909 -3.522 1.00 0.00 H HETATM 74 H17 UNL 1 7.838 -0.636 -5.255 1.00 0.00 H HETATM 75 H18 UNL 1 5.997 -1.852 -3.949 1.00 0.00 H HETATM 76 H19 UNL 1 8.753 2.491 -4.576 1.00 0.00 H HETATM 77 H20 UNL 1 9.441 0.613 -5.365 1.00 0.00 H HETATM 78 H21 UNL 1 8.687 3.081 -2.305 1.00 0.00 H HETATM 79 H22 UNL 1 10.801 1.681 -3.152 1.00 0.00 H HETATM 80 H23 UNL 1 8.301 1.751 -0.530 1.00 0.00 H HETATM 81 H24 UNL 1 8.649 -0.361 -0.295 1.00 0.00 H HETATM 82 H25 UNL 1 4.455 0.058 -2.663 1.00 0.00 H HETATM 83 H26 UNL 1 2.394 -0.862 -3.583 1.00 0.00 H HETATM 84 H27 UNL 1 -4.072 -0.449 -0.010 1.00 0.00 H HETATM 85 H28 UNL 1 -4.400 -2.233 0.231 1.00 0.00 H HETATM 86 H29 UNL 1 -3.656 -4.261 -0.124 1.00 0.00 H HETATM 87 H30 UNL 1 -2.034 -5.381 2.211 1.00 0.00 H HETATM 88 H31 UNL 1 -2.474 -6.368 0.772 1.00 0.00 H HETATM 89 H32 UNL 1 -1.271 -4.593 -0.449 1.00 0.00 H HETATM 90 H33 UNL 1 -4.275 -5.133 2.749 1.00 0.00 H HETATM 91 H34 UNL 1 -5.714 -6.571 1.183 1.00 0.00 H HETATM 92 H35 UNL 1 -6.235 -4.124 0.611 1.00 0.00 H HETATM 93 H36 UNL 1 -6.342 -4.962 3.379 1.00 0.00 H HETATM 94 H37 UNL 1 -5.374 -2.623 3.128 1.00 0.00 H HETATM 95 H38 UNL 1 -7.163 -1.860 2.290 1.00 0.00 H HETATM 96 H39 UNL 1 -4.913 1.298 2.301 1.00 0.00 H HETATM 97 H40 UNL 1 -5.767 0.129 -0.049 1.00 0.00 H HETATM 98 H41 UNL 1 -3.460 2.901 1.138 1.00 0.00 H HETATM 99 H42 UNL 1 -5.338 3.804 0.944 1.00 0.00 H CONECT 1 2 58 59 60 CONECT 2 3 3 4 CONECT 4 5 CONECT 5 6 61 62 CONECT 6 7 56 63 CONECT 7 8 CONECT 8 9 41 64 CONECT 9 10 CONECT 10 11 11 39 CONECT 11 12 19 CONECT 12 13 13 18 CONECT 13 14 65 CONECT 14 15 15 66 CONECT 15 16 17 CONECT 16 67 CONECT 17 18 18 68 CONECT 18 69 CONECT 19 20 CONECT 20 21 21 38 CONECT 21 22 70 CONECT 22 23 35 35 CONECT 23 24 CONECT 24 25 33 71 CONECT 25 26 CONECT 26 27 29 72 CONECT 27 28 73 74 CONECT 28 75 CONECT 29 30 31 76 CONECT 30 77 CONECT 31 32 33 78 CONECT 32 79 CONECT 33 34 80 CONECT 34 81 CONECT 35 36 82 CONECT 36 37 38 38 CONECT 37 83 CONECT 38 39 CONECT 39 40 40 CONECT 41 42 54 84 CONECT 42 43 CONECT 43 44 52 85 CONECT 44 45 CONECT 45 46 48 86 CONECT 46 47 87 88 CONECT 47 89 CONECT 48 49 50 90 CONECT 49 91 CONECT 50 51 52 92 CONECT 51 93 CONECT 52 53 94 CONECT 53 95 CONECT 54 55 56 96 CONECT 55 97 CONECT 56 57 98 CONECT 57 99 END