COMPND HMDB0036749 HETATM 1 C1 UNL 1 3.203 2.282 0.358 1.00 0.00 C HETATM 2 C2 UNL 1 4.020 1.249 0.133 1.00 0.00 C HETATM 3 C3 UNL 1 3.426 -0.050 -0.299 1.00 0.00 C HETATM 4 C4 UNL 1 4.590 -1.007 -0.494 1.00 0.00 C HETATM 5 C5 UNL 1 2.664 0.107 -1.550 1.00 0.00 C HETATM 6 C6 UNL 1 1.205 0.118 -1.526 1.00 0.00 C HETATM 7 C7 UNL 1 0.551 -0.670 -0.427 1.00 0.00 C HETATM 8 C8 UNL 1 1.206 -0.268 0.842 1.00 0.00 C HETATM 9 C9 UNL 1 0.619 0.302 1.858 1.00 0.00 C HETATM 10 C10 UNL 1 -0.808 0.617 1.850 1.00 0.00 C HETATM 11 O1 UNL 1 -1.549 -0.208 2.714 1.00 0.00 O HETATM 12 C11 UNL 1 -2.716 -0.642 2.097 1.00 0.00 C HETATM 13 O2 UNL 1 -3.432 -1.555 2.584 1.00 0.00 O HETATM 14 C12 UNL 1 -2.886 0.147 0.865 1.00 0.00 C HETATM 15 C13 UNL 1 -3.721 1.363 1.151 1.00 0.00 C HETATM 16 C14 UNL 1 -1.451 0.538 0.504 1.00 0.00 C HETATM 17 C15 UNL 1 -0.917 -0.538 -0.381 1.00 0.00 C HETATM 18 C16 UNL 1 -1.472 -0.246 -1.783 1.00 0.00 C HETATM 19 C17 UNL 1 -2.972 -0.081 -1.607 1.00 0.00 C HETATM 20 C18 UNL 1 -3.418 -0.668 -0.283 1.00 0.00 C HETATM 21 O3 UNL 1 -4.796 -0.780 -0.266 1.00 0.00 O HETATM 22 O4 UNL 1 -2.860 -1.955 -0.181 1.00 0.00 O HETATM 23 C19 UNL 1 -1.500 -1.909 -0.010 1.00 0.00 C HETATM 24 C20 UNL 1 2.661 -0.573 0.884 1.00 0.00 C HETATM 25 H1 UNL 1 3.617 3.240 0.674 1.00 0.00 H HETATM 26 H2 UNL 1 2.145 2.146 0.222 1.00 0.00 H HETATM 27 H3 UNL 1 5.095 1.337 0.256 1.00 0.00 H HETATM 28 H4 UNL 1 4.885 -1.484 0.465 1.00 0.00 H HETATM 29 H5 UNL 1 5.475 -0.503 -0.930 1.00 0.00 H HETATM 30 H6 UNL 1 4.326 -1.832 -1.185 1.00 0.00 H HETATM 31 H7 UNL 1 3.021 1.059 -2.050 1.00 0.00 H HETATM 32 H8 UNL 1 3.002 -0.689 -2.276 1.00 0.00 H HETATM 33 H9 UNL 1 0.779 -0.300 -2.489 1.00 0.00 H HETATM 34 H10 UNL 1 0.778 1.149 -1.476 1.00 0.00 H HETATM 35 H11 UNL 1 0.840 -1.744 -0.595 1.00 0.00 H HETATM 36 H12 UNL 1 1.204 0.550 2.734 1.00 0.00 H HETATM 37 H13 UNL 1 -0.916 1.685 2.201 1.00 0.00 H HETATM 38 H14 UNL 1 -3.618 1.602 2.246 1.00 0.00 H HETATM 39 H15 UNL 1 -3.313 2.227 0.591 1.00 0.00 H HETATM 40 H16 UNL 1 -4.784 1.193 0.976 1.00 0.00 H HETATM 41 H17 UNL 1 -1.520 1.508 -0.022 1.00 0.00 H HETATM 42 H18 UNL 1 -1.239 -1.106 -2.438 1.00 0.00 H HETATM 43 H19 UNL 1 -1.072 0.691 -2.196 1.00 0.00 H HETATM 44 H20 UNL 1 -3.498 -0.562 -2.443 1.00 0.00 H HETATM 45 H21 UNL 1 -3.234 1.014 -1.641 1.00 0.00 H HETATM 46 H22 UNL 1 -5.234 0.031 -0.641 1.00 0.00 H HETATM 47 H23 UNL 1 -1.154 -2.236 0.978 1.00 0.00 H HETATM 48 H24 UNL 1 -1.047 -2.615 -0.761 1.00 0.00 H HETATM 49 H25 UNL 1 3.086 -0.236 1.850 1.00 0.00 H HETATM 50 H26 UNL 1 2.731 -1.700 0.917 1.00 0.00 H CONECT 1 2 2 25 26 CONECT 2 3 27 CONECT 3 4 5 24 CONECT 4 28 29 30 CONECT 5 6 31 32 CONECT 6 7 33 34 CONECT 7 8 17 35 CONECT 8 9 9 24 CONECT 9 10 36 CONECT 10 11 16 37 CONECT 11 12 CONECT 12 13 13 14 CONECT 14 15 16 20 CONECT 15 38 39 40 CONECT 16 17 41 CONECT 17 18 23 CONECT 18 19 42 43 CONECT 19 20 44 45 CONECT 20 21 22 CONECT 21 46 CONECT 22 23 CONECT 23 47 48 CONECT 24 49 50 END