COMPND HMDB0034145 HETATM 1 C1 UNL 1 -6.441 -1.115 1.534 1.00 0.00 C HETATM 2 C2 UNL 1 -6.200 -0.370 0.461 1.00 0.00 C HETATM 3 C3 UNL 1 -6.853 0.963 0.273 1.00 0.00 C HETATM 4 C4 UNL 1 -5.254 -0.897 -0.564 1.00 0.00 C HETATM 5 C5 UNL 1 -4.076 0.024 -0.748 1.00 0.00 C HETATM 6 C6 UNL 1 -2.949 -0.738 -0.171 1.00 0.00 C HETATM 7 C7 UNL 1 -3.364 -2.004 0.167 1.00 0.00 C HETATM 8 C8 UNL 1 -2.436 -2.859 0.724 1.00 0.00 C HETATM 9 C9 UNL 1 -1.122 -2.464 0.942 1.00 0.00 C HETATM 10 C10 UNL 1 -0.731 -1.188 0.594 1.00 0.00 C HETATM 11 C11 UNL 1 -1.629 -0.320 0.040 1.00 0.00 C HETATM 12 O1 UNL 1 -1.211 0.951 -0.299 1.00 0.00 O HETATM 13 C12 UNL 1 0.157 1.133 -0.696 1.00 0.00 C HETATM 14 C13 UNL 1 0.336 0.405 -1.977 1.00 0.00 C HETATM 15 O2 UNL 1 1.514 -0.407 -1.995 1.00 0.00 O HETATM 16 C14 UNL 1 2.656 -0.000 -1.327 1.00 0.00 C HETATM 17 C15 UNL 1 3.925 -0.108 -1.802 1.00 0.00 C HETATM 18 C16 UNL 1 5.012 0.332 -1.050 1.00 0.00 C HETATM 19 O3 UNL 1 6.303 0.232 -1.513 1.00 0.00 O HETATM 20 C17 UNL 1 6.515 -0.337 -2.791 1.00 0.00 C HETATM 21 C18 UNL 1 4.806 0.885 0.191 1.00 0.00 C HETATM 22 O4 UNL 1 5.895 1.327 0.947 1.00 0.00 O HETATM 23 C19 UNL 1 5.720 1.901 2.227 1.00 0.00 C HETATM 24 C20 UNL 1 3.536 1.007 0.699 1.00 0.00 C HETATM 25 C21 UNL 1 2.469 0.561 -0.069 1.00 0.00 C HETATM 26 C22 UNL 1 1.067 0.658 0.410 1.00 0.00 C HETATM 27 O5 UNL 1 0.999 1.486 1.512 1.00 0.00 O HETATM 28 C23 UNL 1 0.645 -0.721 0.805 1.00 0.00 C HETATM 29 O6 UNL 1 1.441 -1.541 1.332 1.00 0.00 O HETATM 30 O7 UNL 1 -4.704 -2.128 -0.154 1.00 0.00 O HETATM 31 H1 UNL 1 -7.124 -0.759 2.296 1.00 0.00 H HETATM 32 H2 UNL 1 -5.968 -2.075 1.665 1.00 0.00 H HETATM 33 H3 UNL 1 -7.013 1.212 -0.783 1.00 0.00 H HETATM 34 H4 UNL 1 -7.864 0.876 0.764 1.00 0.00 H HETATM 35 H5 UNL 1 -6.319 1.753 0.838 1.00 0.00 H HETATM 36 H6 UNL 1 -5.778 -0.990 -1.556 1.00 0.00 H HETATM 37 H7 UNL 1 -3.845 0.153 -1.838 1.00 0.00 H HETATM 38 H8 UNL 1 -4.176 0.982 -0.229 1.00 0.00 H HETATM 39 H9 UNL 1 -2.698 -3.871 1.013 1.00 0.00 H HETATM 40 H10 UNL 1 -0.384 -3.140 1.384 1.00 0.00 H HETATM 41 H11 UNL 1 0.308 2.228 -0.800 1.00 0.00 H HETATM 42 H12 UNL 1 0.494 1.159 -2.794 1.00 0.00 H HETATM 43 H13 UNL 1 -0.539 -0.213 -2.264 1.00 0.00 H HETATM 44 H14 UNL 1 4.084 -0.544 -2.778 1.00 0.00 H HETATM 45 H15 UNL 1 7.600 -0.389 -3.034 1.00 0.00 H HETATM 46 H16 UNL 1 5.954 0.262 -3.546 1.00 0.00 H HETATM 47 H17 UNL 1 6.113 -1.376 -2.866 1.00 0.00 H HETATM 48 H18 UNL 1 6.596 2.480 2.554 1.00 0.00 H HETATM 49 H19 UNL 1 5.581 1.091 2.978 1.00 0.00 H HETATM 50 H20 UNL 1 4.861 2.628 2.247 1.00 0.00 H HETATM 51 H21 UNL 1 3.317 1.432 1.665 1.00 0.00 H HETATM 52 H22 UNL 1 0.778 2.432 1.263 1.00 0.00 H CONECT 1 2 2 31 32 CONECT 2 3 4 CONECT 3 33 34 35 CONECT 4 5 30 36 CONECT 5 6 37 38 CONECT 6 7 7 11 CONECT 7 8 30 CONECT 8 9 9 39 CONECT 9 10 40 CONECT 10 11 11 28 CONECT 11 12 CONECT 12 13 CONECT 13 14 26 41 CONECT 14 15 42 43 CONECT 15 16 CONECT 16 17 17 25 CONECT 17 18 44 CONECT 18 19 21 21 CONECT 19 20 CONECT 20 45 46 47 CONECT 21 22 24 CONECT 22 23 CONECT 23 48 49 50 CONECT 24 25 25 51 CONECT 25 26 CONECT 26 27 28 CONECT 27 52 CONECT 28 29 29 END