COMPND HMDB0037913 HETATM 1 C1 UNL 1 -5.337 -0.493 -2.202 1.00 0.00 C HETATM 2 C2 UNL 1 -4.580 -1.316 -1.511 1.00 0.00 C HETATM 3 C3 UNL 1 -5.071 -2.700 -1.210 1.00 0.00 C HETATM 4 C4 UNL 1 -3.283 -0.885 -1.042 1.00 0.00 C HETATM 5 C5 UNL 1 -2.176 -1.452 -1.636 1.00 0.00 C HETATM 6 C6 UNL 1 -0.913 -1.098 -1.247 1.00 0.00 C HETATM 7 C7 UNL 1 0.132 -1.721 -1.903 1.00 0.00 C HETATM 8 O1 UNL 1 -0.089 -2.555 -2.793 1.00 0.00 O HETATM 9 C8 UNL 1 1.412 -1.399 -1.549 1.00 0.00 C HETATM 10 C9 UNL 1 2.482 -2.009 -2.191 1.00 0.00 C HETATM 11 O2 UNL 1 2.372 -2.935 -3.178 1.00 0.00 O HETATM 12 C10 UNL 1 3.774 -1.635 -1.782 1.00 0.00 C HETATM 13 C11 UNL 1 3.938 -0.703 -0.787 1.00 0.00 C HETATM 14 C12 UNL 1 2.866 -0.108 -0.162 1.00 0.00 C HETATM 15 C13 UNL 1 1.571 -0.465 -0.553 1.00 0.00 C HETATM 16 O3 UNL 1 0.585 0.136 0.080 1.00 0.00 O HETATM 17 C14 UNL 1 -0.649 -0.174 -0.261 1.00 0.00 C HETATM 18 C15 UNL 1 -1.765 0.406 0.349 1.00 0.00 C HETATM 19 C16 UNL 1 -3.053 0.040 -0.053 1.00 0.00 C HETATM 20 C17 UNL 1 -4.198 0.648 0.607 1.00 0.00 C HETATM 21 O4 UNL 1 -5.389 0.349 0.285 1.00 0.00 O HETATM 22 C18 UNL 1 -3.992 1.636 1.679 1.00 0.00 C HETATM 23 O5 UNL 1 -5.126 2.193 2.282 1.00 0.00 O HETATM 24 C19 UNL 1 -4.909 3.041 3.393 1.00 0.00 C HETATM 25 C20 UNL 1 -2.770 1.955 2.026 1.00 0.00 C HETATM 26 C21 UNL 1 -1.583 1.376 1.400 1.00 0.00 C HETATM 27 O6 UNL 1 -0.422 1.694 1.747 1.00 0.00 O HETATM 28 C22 UNL 1 3.091 0.872 0.884 1.00 0.00 C HETATM 29 C23 UNL 1 4.299 1.211 1.254 1.00 0.00 C HETATM 30 C24 UNL 1 5.487 0.615 0.629 1.00 0.00 C HETATM 31 C25 UNL 1 6.286 1.801 0.066 1.00 0.00 C HETATM 32 C26 UNL 1 6.351 -0.103 1.680 1.00 0.00 C HETATM 33 O7 UNL 1 5.199 -0.314 -0.363 1.00 0.00 O HETATM 34 H1 UNL 1 -4.979 0.500 -2.416 1.00 0.00 H HETATM 35 H2 UNL 1 -6.320 -0.783 -2.568 1.00 0.00 H HETATM 36 H3 UNL 1 -6.144 -2.649 -0.896 1.00 0.00 H HETATM 37 H4 UNL 1 -4.486 -3.089 -0.373 1.00 0.00 H HETATM 38 H5 UNL 1 -4.994 -3.356 -2.099 1.00 0.00 H HETATM 39 H6 UNL 1 -2.337 -2.185 -2.418 1.00 0.00 H HETATM 40 H7 UNL 1 1.677 -3.377 -3.654 1.00 0.00 H HETATM 41 H8 UNL 1 4.626 -2.081 -2.250 1.00 0.00 H HETATM 42 H9 UNL 1 -4.386 2.465 4.199 1.00 0.00 H HETATM 43 H10 UNL 1 -5.877 3.348 3.791 1.00 0.00 H HETATM 44 H11 UNL 1 -4.301 3.925 3.089 1.00 0.00 H HETATM 45 H12 UNL 1 -2.647 2.682 2.814 1.00 0.00 H HETATM 46 H13 UNL 1 2.201 1.308 1.340 1.00 0.00 H HETATM 47 H14 UNL 1 4.400 1.958 2.050 1.00 0.00 H HETATM 48 H15 UNL 1 5.682 2.158 -0.807 1.00 0.00 H HETATM 49 H16 UNL 1 7.290 1.487 -0.223 1.00 0.00 H HETATM 50 H17 UNL 1 6.327 2.588 0.846 1.00 0.00 H HETATM 51 H18 UNL 1 5.930 -1.108 1.784 1.00 0.00 H HETATM 52 H19 UNL 1 6.427 0.471 2.606 1.00 0.00 H HETATM 53 H20 UNL 1 7.370 -0.168 1.249 1.00 0.00 H CONECT 1 2 2 34 35 CONECT 2 3 4 CONECT 3 36 37 38 CONECT 4 5 5 19 CONECT 5 6 39 CONECT 6 7 17 17 CONECT 7 8 8 9 CONECT 9 10 10 15 CONECT 10 11 12 CONECT 11 40 CONECT 12 13 13 41 CONECT 13 14 33 CONECT 14 15 15 28 CONECT 15 16 CONECT 16 17 CONECT 17 18 CONECT 18 19 19 26 CONECT 19 20 CONECT 20 21 21 22 CONECT 22 23 25 25 CONECT 23 24 CONECT 24 42 43 44 CONECT 25 26 45 CONECT 26 27 27 CONECT 28 29 29 46 CONECT 29 30 47 CONECT 30 31 32 33 CONECT 31 48 49 50 CONECT 32 51 52 53 END