COMPND HMDB0303810 HETATM 1 O1 UNL 1 -3.097 -4.000 1.274 1.00 0.00 O HETATM 2 C1 UNL 1 -2.756 -2.875 0.884 1.00 0.00 C HETATM 3 C2 UNL 1 -3.634 -1.855 0.592 1.00 0.00 C HETATM 4 C3 UNL 1 -3.215 -0.624 0.162 1.00 0.00 C HETATM 5 C4 UNL 1 -4.142 0.485 -0.156 1.00 0.00 C HETATM 6 C5 UNL 1 -3.606 1.679 -0.580 1.00 0.00 C HETATM 7 C6 UNL 1 -4.400 2.748 -0.892 1.00 0.00 C HETATM 8 C7 UNL 1 -5.783 2.654 -0.787 1.00 0.00 C HETATM 9 O2 UNL 1 -6.564 3.757 -1.111 1.00 0.00 O HETATM 10 C8 UNL 1 -6.323 1.458 -0.362 1.00 0.00 C HETATM 11 C9 UNL 1 -5.499 0.375 -0.047 1.00 0.00 C HETATM 12 O3 UNL 1 -1.933 -0.447 0.036 1.00 0.00 O HETATM 13 C10 UNL 1 -1.009 -1.356 0.288 1.00 0.00 C HETATM 14 C11 UNL 1 0.330 -1.034 0.110 1.00 0.00 C HETATM 15 C12 UNL 1 1.313 -1.956 0.363 1.00 0.00 C HETATM 16 O4 UNL 1 2.668 -1.721 0.213 1.00 0.00 O HETATM 17 C13 UNL 1 3.194 -0.524 -0.211 1.00 0.00 C HETATM 18 O5 UNL 1 3.946 -0.665 -1.411 1.00 0.00 O HETATM 19 C14 UNL 1 4.133 0.600 -1.940 1.00 0.00 C HETATM 20 C15 UNL 1 4.944 1.483 -1.042 1.00 0.00 C HETATM 21 O6 UNL 1 4.954 2.776 -1.559 1.00 0.00 O HETATM 22 C16 UNL 1 4.439 1.486 0.391 1.00 0.00 C HETATM 23 O7 UNL 1 5.393 2.101 1.189 1.00 0.00 O HETATM 24 C17 UNL 1 4.230 0.037 0.782 1.00 0.00 C HETATM 25 O8 UNL 1 3.774 -0.100 2.087 1.00 0.00 O HETATM 26 C18 UNL 1 0.891 -3.221 0.805 1.00 0.00 C HETATM 27 C19 UNL 1 -0.429 -3.524 0.975 1.00 0.00 C HETATM 28 O9 UNL 1 -0.860 -4.786 1.416 1.00 0.00 O HETATM 29 C20 UNL 1 -1.394 -2.604 0.722 1.00 0.00 C HETATM 30 H1 UNL 1 -4.688 -2.033 0.707 1.00 0.00 H HETATM 31 H2 UNL 1 -2.538 1.774 -0.668 1.00 0.00 H HETATM 32 H3 UNL 1 -3.984 3.687 -1.225 1.00 0.00 H HETATM 33 H4 UNL 1 -6.801 4.430 -0.394 1.00 0.00 H HETATM 34 H5 UNL 1 -7.385 1.350 -0.270 1.00 0.00 H HETATM 35 H6 UNL 1 -5.949 -0.542 0.280 1.00 0.00 H HETATM 36 H7 UNL 1 0.576 -0.037 -0.233 1.00 0.00 H HETATM 37 H8 UNL 1 2.490 0.286 -0.442 1.00 0.00 H HETATM 38 H9 UNL 1 3.148 1.093 -2.089 1.00 0.00 H HETATM 39 H10 UNL 1 4.667 0.505 -2.897 1.00 0.00 H HETATM 40 H11 UNL 1 5.977 1.121 -1.045 1.00 0.00 H HETATM 41 H12 UNL 1 5.575 2.903 -2.297 1.00 0.00 H HETATM 42 H13 UNL 1 3.450 1.987 0.462 1.00 0.00 H HETATM 43 H14 UNL 1 5.016 2.558 1.975 1.00 0.00 H HETATM 44 H15 UNL 1 5.200 -0.481 0.637 1.00 0.00 H HETATM 45 H16 UNL 1 4.232 0.550 2.671 1.00 0.00 H HETATM 46 H17 UNL 1 1.664 -3.960 1.008 1.00 0.00 H HETATM 47 H18 UNL 1 -0.214 -5.535 1.630 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 29 CONECT 3 4 4 30 CONECT 4 5 12 CONECT 5 6 6 11 CONECT 6 7 31 CONECT 7 8 8 32 CONECT 8 9 10 CONECT 9 33 CONECT 10 11 11 34 CONECT 11 35 CONECT 12 13 CONECT 13 14 14 29 CONECT 14 15 36 CONECT 15 16 26 26 CONECT 16 17 CONECT 17 18 24 37 CONECT 18 19 CONECT 19 20 38 39 CONECT 20 21 22 40 CONECT 21 41 CONECT 22 23 24 42 CONECT 23 43 CONECT 24 25 44 CONECT 25 45 CONECT 26 27 46 CONECT 27 28 29 29 CONECT 28 47 END