COMPND HMDB0247669 HETATM 1 C1 UNL 1 -4.208 -1.162 2.176 1.00 0.00 C HETATM 2 C2 UNL 1 -2.884 -0.787 1.596 1.00 0.00 C HETATM 3 C3 UNL 1 -1.721 -1.338 2.125 1.00 0.00 C HETATM 4 C4 UNL 1 -0.500 -0.987 1.589 1.00 0.00 C HETATM 5 C5 UNL 1 -0.372 -0.107 0.545 1.00 0.00 C HETATM 6 N1 UNL 1 0.885 0.065 -0.188 1.00 0.00 N HETATM 7 C6 UNL 1 1.690 -1.058 -0.322 1.00 0.00 C HETATM 8 O1 UNL 1 1.123 -2.159 0.165 1.00 0.00 O HETATM 9 C7 UNL 1 3.007 -1.352 -0.884 1.00 0.00 C HETATM 10 C8 UNL 1 4.185 -0.536 -0.534 1.00 0.00 C HETATM 11 C9 UNL 1 5.426 -1.180 -0.409 1.00 0.00 C HETATM 12 C10 UNL 1 6.594 -0.576 -0.049 1.00 0.00 C HETATM 13 C11 UNL 1 6.563 0.773 0.218 1.00 0.00 C HETATM 14 C12 UNL 1 5.373 1.446 0.110 1.00 0.00 C HETATM 15 C13 UNL 1 4.173 0.785 -0.271 1.00 0.00 C HETATM 16 O2 UNL 1 5.628 2.790 0.436 1.00 0.00 O HETATM 17 C14 UNL 1 7.052 2.938 0.519 1.00 0.00 C HETATM 18 F1 UNL 1 7.459 3.532 -0.660 1.00 0.00 F HETATM 19 F2 UNL 1 7.379 3.699 1.613 1.00 0.00 F HETATM 20 O3 UNL 1 7.587 1.636 0.605 1.00 0.00 O HETATM 21 C15 UNL 1 2.989 -1.820 -2.336 1.00 0.00 C HETATM 22 C16 UNL 1 3.181 -2.809 -1.260 1.00 0.00 C HETATM 23 N2 UNL 1 -1.506 0.421 0.043 1.00 0.00 N HETATM 24 C17 UNL 1 -2.740 0.090 0.548 1.00 0.00 C HETATM 25 C18 UNL 1 -3.937 0.558 -0.134 1.00 0.00 C HETATM 26 C19 UNL 1 -3.866 0.511 -1.541 1.00 0.00 C HETATM 27 C20 UNL 1 -4.923 0.830 -2.349 1.00 0.00 C HETATM 28 C21 UNL 1 -6.112 1.212 -1.814 1.00 0.00 C HETATM 29 C22 UNL 1 -6.209 1.267 -0.420 1.00 0.00 C HETATM 30 C23 UNL 1 -7.471 1.629 0.200 1.00 0.00 C HETATM 31 O4 UNL 1 -8.481 1.924 -0.559 1.00 0.00 O HETATM 32 O5 UNL 1 -7.726 1.694 1.538 1.00 0.00 O HETATM 33 C24 UNL 1 -5.123 0.943 0.395 1.00 0.00 C HETATM 34 H1 UNL 1 -4.967 -1.294 1.418 1.00 0.00 H HETATM 35 H2 UNL 1 -4.494 -0.492 3.035 1.00 0.00 H HETATM 36 H3 UNL 1 -4.128 -2.174 2.682 1.00 0.00 H HETATM 37 H4 UNL 1 -1.823 -2.036 2.962 1.00 0.00 H HETATM 38 H5 UNL 1 0.407 -1.411 2.055 1.00 0.00 H HETATM 39 H6 UNL 1 1.097 1.031 -0.497 1.00 0.00 H HETATM 40 H7 UNL 1 5.451 -2.228 -0.623 1.00 0.00 H HETATM 41 H8 UNL 1 7.526 -1.136 0.024 1.00 0.00 H HETATM 42 H9 UNL 1 3.304 1.391 -0.323 1.00 0.00 H HETATM 43 H10 UNL 1 2.026 -1.808 -2.874 1.00 0.00 H HETATM 44 H11 UNL 1 3.887 -1.528 -2.912 1.00 0.00 H HETATM 45 H12 UNL 1 4.095 -3.364 -1.160 1.00 0.00 H HETATM 46 H13 UNL 1 2.284 -3.490 -1.056 1.00 0.00 H HETATM 47 H14 UNL 1 -2.933 0.217 -2.024 1.00 0.00 H HETATM 48 H15 UNL 1 -4.853 0.796 -3.434 1.00 0.00 H HETATM 49 H16 UNL 1 -6.975 1.468 -2.443 1.00 0.00 H HETATM 50 H17 UNL 1 -7.153 2.162 2.207 1.00 0.00 H HETATM 51 H18 UNL 1 -5.267 1.024 1.454 1.00 0.00 H CONECT 1 2 34 35 36 CONECT 2 3 3 24 CONECT 3 4 37 CONECT 4 5 5 38 CONECT 5 6 23 CONECT 6 7 39 CONECT 7 8 8 9 CONECT 9 10 21 22 CONECT 10 11 11 15 CONECT 11 12 40 CONECT 12 13 13 41 CONECT 13 14 20 CONECT 14 15 15 16 CONECT 15 42 CONECT 16 17 CONECT 17 18 19 20 CONECT 21 22 43 44 CONECT 22 45 46 CONECT 23 24 24 CONECT 24 25 CONECT 25 26 26 33 CONECT 26 27 47 CONECT 27 28 28 48 CONECT 28 29 49 CONECT 29 30 33 33 CONECT 30 31 31 32 CONECT 32 50 CONECT 33 51 END