COMPND HMDB0257022 HETATM 1 O1 UNL 1 -4.398 -2.323 -0.983 1.00 0.00 O HETATM 2 C1 UNL 1 -3.239 -2.515 -0.549 1.00 0.00 C HETATM 3 O2 UNL 1 -2.392 -3.349 -1.218 1.00 0.00 O HETATM 4 C2 UNL 1 -2.814 -1.831 0.682 1.00 0.00 C HETATM 5 O3 UNL 1 -1.529 -2.137 1.010 1.00 0.00 O HETATM 6 C3 UNL 1 -0.904 -1.135 1.805 1.00 0.00 C HETATM 7 O4 UNL 1 -0.118 -0.292 1.182 1.00 0.00 O HETATM 8 C4 UNL 1 0.663 0.540 0.568 1.00 0.00 C HETATM 9 C5 UNL 1 1.398 0.201 -0.539 1.00 0.00 C HETATM 10 C6 UNL 1 1.445 -1.098 -1.188 1.00 0.00 C HETATM 11 C7 UNL 1 1.797 -1.186 -2.548 1.00 0.00 C HETATM 12 C8 UNL 1 1.950 -2.346 -3.229 1.00 0.00 C HETATM 13 C9 UNL 1 1.755 -3.534 -2.572 1.00 0.00 C HETATM 14 O5 UNL 1 1.900 -4.751 -3.232 1.00 0.00 O HETATM 15 C10 UNL 1 1.413 -3.514 -1.252 1.00 0.00 C HETATM 16 O6 UNL 1 1.205 -4.679 -0.543 1.00 0.00 O HETATM 17 C11 UNL 1 1.263 -2.286 -0.574 1.00 0.00 C HETATM 18 O7 UNL 1 2.157 1.168 -1.092 1.00 0.00 O HETATM 19 C12 UNL 1 2.243 2.382 -0.652 1.00 0.00 C HETATM 20 C13 UNL 1 3.054 3.298 -1.292 1.00 0.00 C HETATM 21 C14 UNL 1 3.137 4.569 -0.818 1.00 0.00 C HETATM 22 O8 UNL 1 3.962 5.475 -1.478 1.00 0.00 O HETATM 23 C15 UNL 1 2.419 4.973 0.304 1.00 0.00 C HETATM 24 C16 UNL 1 1.608 4.067 0.947 1.00 0.00 C HETATM 25 O9 UNL 1 0.869 4.386 2.054 1.00 0.00 O HETATM 26 C17 UNL 1 1.524 2.767 0.461 1.00 0.00 C HETATM 27 C18 UNL 1 0.724 1.869 1.095 1.00 0.00 C HETATM 28 O10 UNL 1 0.050 2.160 2.110 1.00 0.00 O HETATM 29 C19 UNL 1 -1.998 -0.522 2.709 1.00 0.00 C HETATM 30 O11 UNL 1 -1.365 0.067 3.767 1.00 0.00 O HETATM 31 C20 UNL 1 -2.870 0.329 1.870 1.00 0.00 C HETATM 32 O12 UNL 1 -4.168 0.454 2.381 1.00 0.00 O HETATM 33 C21 UNL 1 -2.928 -0.321 0.479 1.00 0.00 C HETATM 34 O13 UNL 1 -4.137 -0.079 -0.138 1.00 0.00 O HETATM 35 H1 UNL 1 -1.879 -4.035 -0.668 1.00 0.00 H HETATM 36 H2 UNL 1 -3.551 -2.083 1.478 1.00 0.00 H HETATM 37 H3 UNL 1 -0.327 -1.777 2.589 1.00 0.00 H HETATM 38 H4 UNL 1 1.950 -0.251 -3.062 1.00 0.00 H HETATM 39 H5 UNL 1 2.222 -2.416 -4.279 1.00 0.00 H HETATM 40 H6 UNL 1 2.154 -4.722 -4.208 1.00 0.00 H HETATM 41 H7 UNL 1 1.314 -5.557 -1.031 1.00 0.00 H HETATM 42 H8 UNL 1 1.044 -2.367 0.473 1.00 0.00 H HETATM 43 H9 UNL 1 3.632 3.037 -2.167 1.00 0.00 H HETATM 44 H10 UNL 1 4.051 6.431 -1.153 1.00 0.00 H HETATM 45 H11 UNL 1 2.517 5.985 0.643 1.00 0.00 H HETATM 46 H12 UNL 1 0.811 5.254 2.533 1.00 0.00 H HETATM 47 H13 UNL 1 -2.552 -1.402 3.140 1.00 0.00 H HETATM 48 H14 UNL 1 -1.718 0.959 4.014 1.00 0.00 H HETATM 49 H15 UNL 1 -2.467 1.333 1.754 1.00 0.00 H HETATM 50 H16 UNL 1 -4.795 0.785 1.680 1.00 0.00 H HETATM 51 H17 UNL 1 -2.090 0.004 -0.150 1.00 0.00 H HETATM 52 H18 UNL 1 -3.994 0.012 -1.112 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 3 35 CONECT 4 5 33 36 CONECT 5 6 CONECT 6 7 29 37 CONECT 7 8 CONECT 8 9 9 27 CONECT 9 10 18 CONECT 10 11 11 17 CONECT 11 12 38 CONECT 12 13 13 39 CONECT 13 14 15 CONECT 14 40 CONECT 15 16 17 17 CONECT 16 41 CONECT 17 42 CONECT 18 19 CONECT 19 20 20 26 CONECT 20 21 43 CONECT 21 22 23 23 CONECT 22 44 CONECT 23 24 45 CONECT 24 25 26 26 CONECT 25 46 CONECT 26 27 CONECT 27 28 28 CONECT 29 30 31 47 CONECT 30 48 CONECT 31 32 33 49 CONECT 32 50 CONECT 33 34 51 CONECT 34 52 END