COMPND HMDB0040728 HETATM 1 O1 UNL 1 6.030 -2.740 2.389 1.00 0.00 O HETATM 2 C1 UNL 1 5.737 -2.201 1.225 1.00 0.00 C HETATM 3 C2 UNL 1 4.515 -1.509 1.259 1.00 0.00 C HETATM 4 C3 UNL 1 3.862 -0.850 0.374 1.00 0.00 C HETATM 5 C4 UNL 1 2.559 -0.173 0.600 1.00 0.00 C HETATM 6 C5 UNL 1 1.910 -0.182 1.796 1.00 0.00 C HETATM 7 C6 UNL 1 0.682 0.479 1.943 1.00 0.00 C HETATM 8 C7 UNL 1 0.085 1.157 0.907 1.00 0.00 C HETATM 9 O2 UNL 1 -1.104 1.780 1.100 1.00 0.00 O HETATM 10 C8 UNL 1 -1.882 2.516 0.214 1.00 0.00 C HETATM 11 O3 UNL 1 -2.018 3.851 0.592 1.00 0.00 O HETATM 12 C9 UNL 1 -2.866 4.560 -0.217 1.00 0.00 C HETATM 13 C10 UNL 1 -2.727 6.038 0.144 1.00 0.00 C HETATM 14 O4 UNL 1 -3.054 6.284 1.465 1.00 0.00 O HETATM 15 C11 UNL 1 -4.276 4.114 0.046 1.00 0.00 C HETATM 16 O5 UNL 1 -4.871 5.050 0.921 1.00 0.00 O HETATM 17 C12 UNL 1 -4.316 2.728 0.619 1.00 0.00 C HETATM 18 O6 UNL 1 -4.220 2.762 1.994 1.00 0.00 O HETATM 19 C13 UNL 1 -3.243 1.872 -0.028 1.00 0.00 C HETATM 20 O7 UNL 1 -3.175 0.610 0.510 1.00 0.00 O HETATM 21 C14 UNL 1 -3.354 -0.419 -0.385 1.00 0.00 C HETATM 22 O8 UNL 1 -2.274 -1.246 -0.519 1.00 0.00 O HETATM 23 C15 UNL 1 -2.633 -2.550 -0.344 1.00 0.00 C HETATM 24 C16 UNL 1 -4.011 -2.587 0.254 1.00 0.00 C HETATM 25 O9 UNL 1 -4.002 -2.745 1.638 1.00 0.00 O HETATM 26 C17 UNL 1 -4.812 -3.710 -0.341 1.00 0.00 C HETATM 27 O10 UNL 1 -4.880 -3.642 -1.719 1.00 0.00 O HETATM 28 C18 UNL 1 -4.582 -1.241 -0.124 1.00 0.00 C HETATM 29 O11 UNL 1 -5.372 -1.415 -1.260 1.00 0.00 O HETATM 30 C19 UNL 1 0.754 1.156 -0.291 1.00 0.00 C HETATM 31 C20 UNL 1 1.967 0.507 -0.450 1.00 0.00 C HETATM 32 C21 UNL 1 6.711 -2.438 0.204 1.00 0.00 C HETATM 33 C22 UNL 1 6.643 -1.989 -1.093 1.00 0.00 C HETATM 34 C23 UNL 1 7.639 -2.269 -2.024 1.00 0.00 C HETATM 35 C24 UNL 1 8.740 -3.005 -1.697 1.00 0.00 C HETATM 36 O12 UNL 1 9.737 -3.276 -2.657 1.00 0.00 O HETATM 37 C25 UNL 1 8.847 -3.467 -0.429 1.00 0.00 C HETATM 38 C26 UNL 1 7.862 -3.205 0.537 1.00 0.00 C HETATM 39 O13 UNL 1 8.060 -3.705 1.759 1.00 0.00 O HETATM 40 H1 UNL 1 3.952 -1.507 2.272 1.00 0.00 H HETATM 41 H2 UNL 1 4.252 -0.758 -0.618 1.00 0.00 H HETATM 42 H3 UNL 1 2.325 -0.701 2.665 1.00 0.00 H HETATM 43 H4 UNL 1 0.229 0.427 2.917 1.00 0.00 H HETATM 44 H5 UNL 1 -1.367 2.545 -0.766 1.00 0.00 H HETATM 45 H6 UNL 1 -2.615 4.493 -1.296 1.00 0.00 H HETATM 46 H7 UNL 1 -3.315 6.673 -0.562 1.00 0.00 H HETATM 47 H8 UNL 1 -1.659 6.301 -0.052 1.00 0.00 H HETATM 48 H9 UNL 1 -2.212 6.246 1.990 1.00 0.00 H HETATM 49 H10 UNL 1 -4.835 4.217 -0.910 1.00 0.00 H HETATM 50 H11 UNL 1 -4.724 4.651 1.835 1.00 0.00 H HETATM 51 H12 UNL 1 -5.313 2.301 0.370 1.00 0.00 H HETATM 52 H13 UNL 1 -4.541 1.878 2.330 1.00 0.00 H HETATM 53 H14 UNL 1 -3.434 1.910 -1.105 1.00 0.00 H HETATM 54 H15 UNL 1 -3.519 0.071 -1.392 1.00 0.00 H HETATM 55 H16 UNL 1 -2.546 -3.139 -1.279 1.00 0.00 H HETATM 56 H17 UNL 1 -1.938 -3.016 0.383 1.00 0.00 H HETATM 57 H18 UNL 1 -4.446 -2.014 2.111 1.00 0.00 H HETATM 58 H19 UNL 1 -4.353 -4.670 -0.034 1.00 0.00 H HETATM 59 H20 UNL 1 -5.843 -3.666 0.093 1.00 0.00 H HETATM 60 H21 UNL 1 -5.729 -4.053 -2.018 1.00 0.00 H HETATM 61 H22 UNL 1 -5.228 -0.858 0.667 1.00 0.00 H HETATM 62 H23 UNL 1 -6.006 -0.642 -1.351 1.00 0.00 H HETATM 63 H24 UNL 1 0.378 1.652 -1.160 1.00 0.00 H HETATM 64 H25 UNL 1 2.470 0.527 -1.419 1.00 0.00 H HETATM 65 H26 UNL 1 5.814 -1.405 -1.437 1.00 0.00 H HETATM 66 H27 UNL 1 7.548 -1.892 -3.050 1.00 0.00 H HETATM 67 H28 UNL 1 10.479 -2.578 -2.696 1.00 0.00 H HETATM 68 H29 UNL 1 9.723 -4.066 -0.130 1.00 0.00 H HETATM 69 H30 UNL 1 7.788 -3.825 2.636 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 32 CONECT 3 4 4 40 CONECT 4 5 41 CONECT 5 6 6 31 CONECT 6 7 42 CONECT 7 8 8 43 CONECT 8 9 30 CONECT 9 10 CONECT 10 11 19 44 CONECT 11 12 CONECT 12 13 15 45 CONECT 13 14 46 47 CONECT 14 48 CONECT 15 16 17 49 CONECT 16 50 CONECT 17 18 19 51 CONECT 18 52 CONECT 19 20 53 CONECT 20 21 CONECT 21 22 28 54 CONECT 22 23 CONECT 23 24 55 56 CONECT 24 25 26 28 CONECT 25 57 CONECT 26 27 58 59 CONECT 27 60 CONECT 28 29 61 CONECT 29 62 CONECT 30 31 31 63 CONECT 31 64 CONECT 32 33 33 38 CONECT 33 34 65 CONECT 34 35 35 66 CONECT 35 36 37 CONECT 36 67 CONECT 37 38 38 68 CONECT 38 39 CONECT 39 69 END