COMPND HMDB0253753 HETATM 1 O1 UNL 1 4.518 -2.434 1.610 1.00 0.00 O HETATM 2 C1 UNL 1 3.424 -2.469 1.000 1.00 0.00 C HETATM 3 O2 UNL 1 2.698 -3.644 1.008 1.00 0.00 O HETATM 4 C2 UNL 1 2.969 -1.245 0.302 1.00 0.00 C HETATM 5 O3 UNL 1 1.748 -1.461 -0.316 1.00 0.00 O HETATM 6 C3 UNL 1 1.380 -0.291 -0.976 1.00 0.00 C HETATM 7 O4 UNL 1 0.029 -0.217 -1.300 1.00 0.00 O HETATM 8 C4 UNL 1 -0.930 0.522 -0.670 1.00 0.00 C HETATM 9 C5 UNL 1 -1.750 -0.023 0.272 1.00 0.00 C HETATM 10 C6 UNL 1 -1.741 -1.415 0.705 1.00 0.00 C HETATM 11 C7 UNL 1 -2.403 -1.723 1.891 1.00 0.00 C HETATM 12 C8 UNL 1 -2.484 -3.018 2.317 1.00 0.00 C HETATM 13 C9 UNL 1 -1.937 -4.073 1.628 1.00 0.00 C HETATM 14 O5 UNL 1 -2.054 -5.365 2.113 1.00 0.00 O HETATM 15 C10 UNL 1 -1.283 -3.777 0.457 1.00 0.00 C HETATM 16 C11 UNL 1 -1.198 -2.462 0.019 1.00 0.00 C HETATM 17 O6 UNL 1 -2.656 0.781 0.862 1.00 0.00 O HETATM 18 C12 UNL 1 -2.788 2.047 0.574 1.00 0.00 C HETATM 19 C13 UNL 1 -3.723 2.843 1.193 1.00 0.00 C HETATM 20 C14 UNL 1 -3.853 4.173 0.882 1.00 0.00 C HETATM 21 O7 UNL 1 -4.809 4.987 1.516 1.00 0.00 O HETATM 22 C15 UNL 1 -3.056 4.748 -0.054 1.00 0.00 C HETATM 23 C16 UNL 1 -2.086 3.988 -0.718 1.00 0.00 C HETATM 24 O8 UNL 1 -1.324 4.611 -1.637 1.00 0.00 O HETATM 25 C17 UNL 1 -1.973 2.668 -0.394 1.00 0.00 C HETATM 26 C18 UNL 1 -1.039 1.870 -1.009 1.00 0.00 C HETATM 27 O9 UNL 1 -0.263 2.292 -1.875 1.00 0.00 O HETATM 28 C19 UNL 1 2.236 -0.278 -2.218 1.00 0.00 C HETATM 29 O10 UNL 1 1.830 0.566 -3.211 1.00 0.00 O HETATM 30 C20 UNL 1 3.627 0.088 -1.737 1.00 0.00 C HETATM 31 O11 UNL 1 3.674 1.456 -1.475 1.00 0.00 O HETATM 32 C21 UNL 1 4.058 -0.737 -0.557 1.00 0.00 C HETATM 33 O12 UNL 1 4.910 0.053 0.214 1.00 0.00 O HETATM 34 H1 UNL 1 2.261 -4.010 1.852 1.00 0.00 H HETATM 35 H2 UNL 1 2.768 -0.489 1.117 1.00 0.00 H HETATM 36 H3 UNL 1 1.719 0.519 -0.294 1.00 0.00 H HETATM 37 H4 UNL 1 -2.850 -0.937 2.473 1.00 0.00 H HETATM 38 H5 UNL 1 -3.015 -3.207 3.255 1.00 0.00 H HETATM 39 H6 UNL 1 -2.858 -5.912 1.827 1.00 0.00 H HETATM 40 H7 UNL 1 -0.848 -4.592 -0.096 1.00 0.00 H HETATM 41 H8 UNL 1 -0.700 -2.299 -0.911 1.00 0.00 H HETATM 42 H9 UNL 1 -4.372 2.408 1.945 1.00 0.00 H HETATM 43 H10 UNL 1 -4.502 5.459 2.369 1.00 0.00 H HETATM 44 H11 UNL 1 -3.120 5.793 -0.334 1.00 0.00 H HETATM 45 H12 UNL 1 -0.613 4.324 -2.212 1.00 0.00 H HETATM 46 H13 UNL 1 2.348 -1.342 -2.598 1.00 0.00 H HETATM 47 H14 UNL 1 2.029 0.185 -4.119 1.00 0.00 H HETATM 48 H15 UNL 1 4.343 -0.109 -2.564 1.00 0.00 H HETATM 49 H16 UNL 1 4.567 1.850 -1.633 1.00 0.00 H HETATM 50 H17 UNL 1 4.678 -1.617 -0.889 1.00 0.00 H HETATM 51 H18 UNL 1 4.416 0.913 0.399 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 3 34 CONECT 4 5 32 35 CONECT 5 6 CONECT 6 7 28 36 CONECT 7 8 CONECT 8 9 9 26 CONECT 9 10 17 CONECT 10 11 11 16 CONECT 11 12 37 CONECT 12 13 13 38 CONECT 13 14 15 CONECT 14 39 CONECT 15 16 16 40 CONECT 16 41 CONECT 17 18 CONECT 18 19 19 25 CONECT 19 20 42 CONECT 20 21 22 22 CONECT 21 43 CONECT 22 23 44 CONECT 23 24 25 25 CONECT 24 45 CONECT 25 26 CONECT 26 27 27 CONECT 28 29 30 46 CONECT 29 47 CONECT 30 31 32 48 CONECT 31 49 CONECT 32 33 50 CONECT 33 51 END