COMPND HMDB0029250 HETATM 1 C1 UNL 1 5.920 2.732 1.228 1.00 0.00 C HETATM 2 O1 UNL 1 6.185 1.452 0.695 1.00 0.00 O HETATM 3 C2 UNL 1 5.189 0.558 0.307 1.00 0.00 C HETATM 4 C3 UNL 1 3.868 0.866 0.417 1.00 0.00 C HETATM 5 C4 UNL 1 2.840 -0.020 0.032 1.00 0.00 C HETATM 6 C5 UNL 1 1.470 0.424 0.199 1.00 0.00 C HETATM 7 O2 UNL 1 1.225 1.630 0.701 1.00 0.00 O1+ HETATM 8 C6 UNL 1 0.054 2.128 0.894 1.00 0.00 C HETATM 9 C7 UNL 1 -0.107 3.391 1.422 1.00 0.00 C HETATM 10 C8 UNL 1 -1.367 3.914 1.624 1.00 0.00 C HETATM 11 O3 UNL 1 -1.545 5.185 2.155 1.00 0.00 O HETATM 12 C9 UNL 1 -2.491 3.180 1.300 1.00 0.00 C HETATM 13 C10 UNL 1 -2.349 1.907 0.767 1.00 0.00 C HETATM 14 C11 UNL 1 -1.081 1.420 0.581 1.00 0.00 C HETATM 15 C12 UNL 1 -0.907 0.158 0.054 1.00 0.00 C HETATM 16 C13 UNL 1 0.392 -0.336 -0.136 1.00 0.00 C HETATM 17 O4 UNL 1 0.523 -1.591 -0.660 1.00 0.00 O HETATM 18 C14 UNL 1 -2.111 -0.584 -0.275 1.00 0.00 C HETATM 19 C15 UNL 1 -3.339 -0.130 -0.101 1.00 0.00 C HETATM 20 C16 UNL 1 -4.545 -0.879 -0.433 1.00 0.00 C HETATM 21 C17 UNL 1 -5.800 -0.310 -0.212 1.00 0.00 C HETATM 22 C18 UNL 1 -6.976 -0.963 -0.503 1.00 0.00 C HETATM 23 C19 UNL 1 -6.917 -2.222 -1.030 1.00 0.00 C HETATM 24 O5 UNL 1 -8.117 -2.867 -1.318 1.00 0.00 O HETATM 25 C20 UNL 1 -5.713 -2.843 -1.273 1.00 0.00 C HETATM 26 C21 UNL 1 -4.539 -2.138 -0.961 1.00 0.00 C HETATM 27 O6 UNL 1 -3.472 1.148 0.433 1.00 0.00 O HETATM 28 C22 UNL 1 3.252 -1.222 -0.466 1.00 0.00 C HETATM 29 C23 UNL 1 4.605 -1.523 -0.573 1.00 0.00 C HETATM 30 O7 UNL 1 4.979 -2.774 -1.093 1.00 0.00 O HETATM 31 C24 UNL 1 4.006 -3.700 -1.495 1.00 0.00 C HETATM 32 C25 UNL 1 5.601 -0.652 -0.195 1.00 0.00 C HETATM 33 O8 UNL 1 6.942 -0.986 -0.316 1.00 0.00 O HETATM 34 H1 UNL 1 5.036 2.779 1.867 1.00 0.00 H HETATM 35 H2 UNL 1 6.849 3.022 1.798 1.00 0.00 H HETATM 36 H3 UNL 1 5.890 3.448 0.369 1.00 0.00 H HETATM 37 H4 UNL 1 3.563 1.835 0.819 1.00 0.00 H HETATM 38 H5 UNL 1 0.734 4.000 1.690 1.00 0.00 H HETATM 39 H6 UNL 1 -1.604 6.011 1.574 1.00 0.00 H HETATM 40 H7 UNL 1 -3.478 3.592 1.459 1.00 0.00 H HETATM 41 H8 UNL 1 -0.219 -2.189 -0.922 1.00 0.00 H HETATM 42 H9 UNL 1 -2.013 -1.575 -0.689 1.00 0.00 H HETATM 43 H10 UNL 1 -5.798 0.694 0.209 1.00 0.00 H HETATM 44 H11 UNL 1 -7.901 -0.446 -0.300 1.00 0.00 H HETATM 45 H12 UNL 1 -8.531 -3.431 -0.584 1.00 0.00 H HETATM 46 H13 UNL 1 -5.680 -3.840 -1.691 1.00 0.00 H HETATM 47 H14 UNL 1 -3.595 -2.645 -1.160 1.00 0.00 H HETATM 48 H15 UNL 1 2.547 -1.944 -0.778 1.00 0.00 H HETATM 49 H16 UNL 1 4.538 -4.591 -1.908 1.00 0.00 H HETATM 50 H17 UNL 1 3.413 -3.978 -0.576 1.00 0.00 H HETATM 51 H18 UNL 1 3.351 -3.215 -2.261 1.00 0.00 H HETATM 52 H19 UNL 1 7.220 -1.884 -0.688 1.00 0.00 H CONECT 1 2 34 35 36 CONECT 2 3 CONECT 3 4 4 32 CONECT 4 5 37 CONECT 5 6 28 28 CONECT 6 7 7 16 CONECT 7 8 CONECT 8 9 9 14 CONECT 9 10 38 CONECT 10 11 12 12 CONECT 11 39 CONECT 12 13 40 CONECT 13 14 14 27 CONECT 14 15 CONECT 15 16 16 18 CONECT 16 17 CONECT 17 41 CONECT 18 19 19 42 CONECT 19 20 27 CONECT 20 21 21 26 CONECT 21 22 43 CONECT 22 23 23 44 CONECT 23 24 25 CONECT 24 45 CONECT 25 26 26 46 CONECT 26 47 CONECT 28 29 48 CONECT 29 30 32 32 CONECT 30 31 CONECT 31 49 50 51 CONECT 32 33 CONECT 33 52 END