COMPND HMDB0033343 HETATM 1 C1 UNL 1 -6.068 1.242 0.711 1.00 0.00 C HETATM 2 C2 UNL 1 -4.960 0.273 0.411 1.00 0.00 C HETATM 3 C3 UNL 1 -4.390 -0.470 1.592 1.00 0.00 C HETATM 4 C4 UNL 1 -4.603 0.105 -0.777 1.00 0.00 C HETATM 5 C5 UNL 1 -3.643 -0.645 -1.575 1.00 0.00 C HETATM 6 C6 UNL 1 -2.314 -0.909 -1.058 1.00 0.00 C HETATM 7 C7 UNL 1 -1.764 -2.031 -0.594 1.00 0.00 C HETATM 8 O1 UNL 1 -2.445 -3.242 -0.555 1.00 0.00 O HETATM 9 C8 UNL 1 -0.435 -2.135 -0.101 1.00 0.00 C HETATM 10 C9 UNL 1 0.373 -1.007 -0.091 1.00 0.00 C HETATM 11 C10 UNL 1 -0.184 0.170 -0.563 1.00 0.00 C HETATM 12 C11 UNL 1 -1.468 0.225 -1.027 1.00 0.00 C HETATM 13 C12 UNL 1 -2.005 1.566 -1.461 1.00 0.00 C HETATM 14 O2 UNL 1 0.435 1.433 -0.629 1.00 0.00 O HETATM 15 C13 UNL 1 1.776 1.761 -0.630 1.00 0.00 C HETATM 16 O3 UNL 1 2.023 2.893 -1.051 1.00 0.00 O HETATM 17 C14 UNL 1 2.870 0.912 -0.181 1.00 0.00 C HETATM 18 C15 UNL 1 4.063 1.642 -0.248 1.00 0.00 C HETATM 19 C16 UNL 1 4.148 3.006 -0.748 1.00 0.00 C HETATM 20 C17 UNL 1 5.170 0.934 0.215 1.00 0.00 C HETATM 21 CL1 UNL 1 6.724 1.757 0.170 1.00 0.00 CL HETATM 22 C18 UNL 1 5.153 -0.333 0.692 1.00 0.00 C HETATM 23 O4 UNL 1 6.284 -0.991 1.130 1.00 0.00 O HETATM 24 C19 UNL 1 3.938 -1.012 0.733 1.00 0.00 C HETATM 25 C20 UNL 1 3.950 -2.339 1.373 1.00 0.00 C HETATM 26 O5 UNL 1 4.761 -3.228 0.584 1.00 0.00 O HETATM 27 C21 UNL 1 2.815 -0.387 0.296 1.00 0.00 C HETATM 28 O6 UNL 1 1.650 -1.205 0.397 1.00 0.00 O HETATM 29 H1 UNL 1 -6.883 1.221 -0.020 1.00 0.00 H HETATM 30 H2 UNL 1 -6.516 1.140 1.703 1.00 0.00 H HETATM 31 H3 UNL 1 -5.669 2.290 0.638 1.00 0.00 H HETATM 32 H4 UNL 1 -3.374 -0.786 1.443 1.00 0.00 H HETATM 33 H5 UNL 1 -4.445 0.186 2.492 1.00 0.00 H HETATM 34 H6 UNL 1 -5.079 -1.338 1.839 1.00 0.00 H HETATM 35 H7 UNL 1 -5.217 0.802 -1.504 1.00 0.00 H HETATM 36 H8 UNL 1 -3.561 -0.285 -2.657 1.00 0.00 H HETATM 37 H9 UNL 1 -4.190 -1.653 -1.773 1.00 0.00 H HETATM 38 H10 UNL 1 -3.391 -3.275 -0.874 1.00 0.00 H HETATM 39 H11 UNL 1 -0.036 -3.056 0.257 1.00 0.00 H HETATM 40 H12 UNL 1 -2.704 1.506 -2.295 1.00 0.00 H HETATM 41 H13 UNL 1 -1.178 2.235 -1.729 1.00 0.00 H HETATM 42 H14 UNL 1 -2.484 2.018 -0.522 1.00 0.00 H HETATM 43 H15 UNL 1 5.292 3.212 -0.746 1.00 0.00 H HETATM 44 H16 UNL 1 3.850 3.825 -0.105 1.00 0.00 H HETATM 45 H17 UNL 1 4.012 3.120 -1.846 1.00 0.00 H HETATM 46 H18 UNL 1 7.167 -0.467 1.015 1.00 0.00 H HETATM 47 H19 UNL 1 4.082 -2.434 2.422 1.00 0.00 H HETATM 48 H20 UNL 1 2.901 -2.794 1.089 1.00 0.00 H HETATM 49 H21 UNL 1 5.565 -3.454 1.166 1.00 0.00 H CONECT 1 2 29 30 31 CONECT 2 3 4 4 CONECT 3 32 33 34 CONECT 4 5 35 CONECT 5 6 36 37 CONECT 6 7 7 12 CONECT 7 8 9 CONECT 8 38 CONECT 9 10 10 39 CONECT 10 11 28 CONECT 11 12 12 14 CONECT 12 13 CONECT 13 40 41 42 CONECT 14 15 CONECT 15 16 16 17 CONECT 17 18 18 27 CONECT 18 19 20 CONECT 19 43 44 45 CONECT 20 21 22 22 CONECT 22 23 24 CONECT 23 46 CONECT 24 25 27 27 CONECT 25 26 47 48 CONECT 26 49 CONECT 27 28 END