COMPND HMDB0030779 HETATM 1 C1 UNL 1 -3.310 3.032 1.214 1.00 0.00 C HETATM 2 C2 UNL 1 -2.244 3.445 0.287 1.00 0.00 C HETATM 3 C3 UNL 1 -2.581 4.507 -0.715 1.00 0.00 C HETATM 4 C4 UNL 1 -1.057 2.927 0.319 1.00 0.00 C HETATM 5 C5 UNL 1 -0.651 1.878 1.275 1.00 0.00 C HETATM 6 C6 UNL 1 -0.135 0.677 0.533 1.00 0.00 C HETATM 7 C7 UNL 1 1.145 0.740 -0.000 1.00 0.00 C HETATM 8 O1 UNL 1 1.871 1.878 0.192 1.00 0.00 O HETATM 9 C8 UNL 1 1.660 -0.320 -0.697 1.00 0.00 C HETATM 10 C9 UNL 1 2.989 -0.314 -1.281 1.00 0.00 C HETATM 11 O2 UNL 1 3.368 -1.360 -1.907 1.00 0.00 O HETATM 12 C10 UNL 1 3.881 0.852 -1.164 1.00 0.00 C HETATM 13 C11 UNL 1 4.729 0.670 0.086 1.00 0.00 C HETATM 14 C12 UNL 1 5.679 1.824 0.301 1.00 0.00 C HETATM 15 C13 UNL 1 5.493 -0.632 -0.143 1.00 0.00 C HETATM 16 C14 UNL 1 0.885 -1.480 -0.875 1.00 0.00 C HETATM 17 O3 UNL 1 1.406 -2.479 -1.542 1.00 0.00 O HETATM 18 C15 UNL 1 0.721 -3.561 -1.720 1.00 0.00 C HETATM 19 O4 UNL 1 1.223 -4.520 -2.360 1.00 0.00 O HETATM 20 C16 UNL 1 -0.540 -3.697 -1.230 1.00 0.00 C HETATM 21 C17 UNL 1 -1.138 -2.648 -0.508 1.00 0.00 C HETATM 22 C18 UNL 1 -2.509 -2.825 -0.069 1.00 0.00 C HETATM 23 C19 UNL 1 -3.566 -2.135 -0.600 1.00 0.00 C HETATM 24 C20 UNL 1 -4.851 -2.327 -0.153 1.00 0.00 C HETATM 25 C21 UNL 1 -5.107 -3.243 0.864 1.00 0.00 C HETATM 26 C22 UNL 1 -4.049 -3.944 1.404 1.00 0.00 C HETATM 27 C23 UNL 1 -2.761 -3.730 0.935 1.00 0.00 C HETATM 28 C24 UNL 1 -0.374 -1.513 -0.339 1.00 0.00 C HETATM 29 C25 UNL 1 -0.901 -0.445 0.370 1.00 0.00 C HETATM 30 O5 UNL 1 -2.168 -0.558 0.881 1.00 0.00 O HETATM 31 H1 UNL 1 -4.100 3.839 1.293 1.00 0.00 H HETATM 32 H2 UNL 1 -3.771 2.108 0.784 1.00 0.00 H HETATM 33 H3 UNL 1 -2.937 2.794 2.228 1.00 0.00 H HETATM 34 H4 UNL 1 -2.282 5.473 -0.259 1.00 0.00 H HETATM 35 H5 UNL 1 -2.034 4.364 -1.671 1.00 0.00 H HETATM 36 H6 UNL 1 -3.678 4.509 -0.915 1.00 0.00 H HETATM 37 H7 UNL 1 -0.326 3.292 -0.413 1.00 0.00 H HETATM 38 H8 UNL 1 0.179 2.283 1.906 1.00 0.00 H HETATM 39 H9 UNL 1 -1.418 1.551 1.971 1.00 0.00 H HETATM 40 H10 UNL 1 1.651 2.701 0.679 1.00 0.00 H HETATM 41 H11 UNL 1 4.623 0.728 -2.037 1.00 0.00 H HETATM 42 H12 UNL 1 3.428 1.832 -1.261 1.00 0.00 H HETATM 43 H13 UNL 1 4.053 0.495 0.938 1.00 0.00 H HETATM 44 H14 UNL 1 6.204 1.615 1.264 1.00 0.00 H HETATM 45 H15 UNL 1 5.097 2.742 0.411 1.00 0.00 H HETATM 46 H16 UNL 1 6.404 1.834 -0.527 1.00 0.00 H HETATM 47 H17 UNL 1 5.743 -0.694 -1.222 1.00 0.00 H HETATM 48 H18 UNL 1 6.391 -0.663 0.493 1.00 0.00 H HETATM 49 H19 UNL 1 4.798 -1.456 0.101 1.00 0.00 H HETATM 50 H20 UNL 1 -1.127 -4.609 -1.375 1.00 0.00 H HETATM 51 H21 UNL 1 -3.391 -1.423 -1.391 1.00 0.00 H HETATM 52 H22 UNL 1 -5.695 -1.806 -0.544 1.00 0.00 H HETATM 53 H23 UNL 1 -6.131 -3.400 1.223 1.00 0.00 H HETATM 54 H24 UNL 1 -4.234 -4.669 2.206 1.00 0.00 H HETATM 55 H25 UNL 1 -1.934 -4.283 1.364 1.00 0.00 H HETATM 56 H26 UNL 1 -2.620 0.142 1.399 1.00 0.00 H CONECT 1 2 31 32 33 CONECT 2 3 4 4 CONECT 3 34 35 36 CONECT 4 5 37 CONECT 5 6 38 39 CONECT 6 7 7 29 CONECT 7 8 9 CONECT 8 40 CONECT 9 10 16 16 CONECT 10 11 11 12 CONECT 12 13 41 42 CONECT 13 14 15 43 CONECT 14 44 45 46 CONECT 15 47 48 49 CONECT 16 17 28 CONECT 17 18 CONECT 18 19 19 20 CONECT 20 21 21 50 CONECT 21 22 28 CONECT 22 23 23 27 CONECT 23 24 51 CONECT 24 25 25 52 CONECT 25 26 53 CONECT 26 27 27 54 CONECT 27 55 CONECT 28 29 29 CONECT 29 30 CONECT 30 56 END