COMPND HMDB0248748 HETATM 1 C1 UNL 1 -5.071 -2.158 0.535 1.00 0.00 C HETATM 2 O1 UNL 1 -3.824 -2.126 -0.129 1.00 0.00 O HETATM 3 C2 UNL 1 -3.039 -3.242 -0.304 1.00 0.00 C HETATM 4 C3 UNL 1 -3.546 -4.441 0.220 1.00 0.00 C HETATM 5 C4 UNL 1 -2.796 -5.587 0.074 1.00 0.00 C HETATM 6 C5 UNL 1 -1.567 -5.550 -0.580 1.00 0.00 C HETATM 7 C6 UNL 1 -1.079 -4.382 -1.088 1.00 0.00 C HETATM 8 C7 UNL 1 -1.839 -3.200 -0.944 1.00 0.00 C HETATM 9 O2 UNL 1 -1.328 -2.052 -1.458 1.00 0.00 O HETATM 10 C8 UNL 1 -1.061 -0.840 -0.889 1.00 0.00 C HETATM 11 C9 UNL 1 0.044 -0.645 -0.088 1.00 0.00 C HETATM 12 N1 UNL 1 0.997 -1.654 0.217 1.00 0.00 N HETATM 13 S1 UNL 1 2.357 -1.357 1.209 1.00 0.00 S HETATM 14 O3 UNL 1 3.147 -2.610 1.453 1.00 0.00 O HETATM 15 O4 UNL 1 1.840 -0.877 2.546 1.00 0.00 O HETATM 16 C10 UNL 1 3.440 -0.163 0.583 1.00 0.00 C HETATM 17 C11 UNL 1 3.303 0.505 -0.606 1.00 0.00 C HETATM 18 C12 UNL 1 4.243 1.454 -1.025 1.00 0.00 C HETATM 19 C13 UNL 1 5.338 1.733 -0.235 1.00 0.00 C HETATM 20 C14 UNL 1 6.343 2.737 -0.667 1.00 0.00 C HETATM 21 C15 UNL 1 5.440 1.041 0.953 1.00 0.00 C HETATM 22 N2 UNL 1 4.526 0.132 1.339 1.00 0.00 N HETATM 23 N3 UNL 1 0.238 0.600 0.441 1.00 0.00 N HETATM 24 C16 UNL 1 -0.589 1.624 0.215 1.00 0.00 C HETATM 25 C17 UNL 1 -0.317 2.930 0.816 1.00 0.00 C HETATM 26 C18 UNL 1 -1.177 3.981 0.577 1.00 0.00 C HETATM 27 C19 UNL 1 -0.982 5.238 1.110 1.00 0.00 C HETATM 28 N4 UNL 1 0.089 5.440 1.894 1.00 0.00 N HETATM 29 C20 UNL 1 0.955 4.425 2.148 1.00 0.00 C HETATM 30 C21 UNL 1 0.770 3.158 1.618 1.00 0.00 C HETATM 31 N5 UNL 1 -1.654 1.403 -0.570 1.00 0.00 N HETATM 32 C22 UNL 1 -1.942 0.218 -1.143 1.00 0.00 C HETATM 33 O5 UNL 1 -3.062 0.057 -1.953 1.00 0.00 O HETATM 34 C23 UNL 1 -3.901 1.169 -2.161 1.00 0.00 C HETATM 35 H1 UNL 1 -4.897 -2.351 1.632 1.00 0.00 H HETATM 36 H2 UNL 1 -5.743 -2.938 0.092 1.00 0.00 H HETATM 37 H3 UNL 1 -5.611 -1.199 0.398 1.00 0.00 H HETATM 38 H4 UNL 1 -4.509 -4.433 0.724 1.00 0.00 H HETATM 39 H5 UNL 1 -3.185 -6.513 0.477 1.00 0.00 H HETATM 40 H6 UNL 1 -1.010 -6.468 -0.674 1.00 0.00 H HETATM 41 H7 UNL 1 -0.128 -4.335 -1.597 1.00 0.00 H HETATM 42 H8 UNL 1 0.891 -2.608 -0.167 1.00 0.00 H HETATM 43 H9 UNL 1 2.448 0.275 -1.211 1.00 0.00 H HETATM 44 H10 UNL 1 4.116 1.969 -1.964 1.00 0.00 H HETATM 45 H11 UNL 1 7.322 2.270 -0.885 1.00 0.00 H HETATM 46 H12 UNL 1 6.540 3.431 0.202 1.00 0.00 H HETATM 47 H13 UNL 1 5.948 3.331 -1.497 1.00 0.00 H HETATM 48 H14 UNL 1 6.318 1.275 1.571 1.00 0.00 H HETATM 49 H15 UNL 1 -2.036 3.834 -0.047 1.00 0.00 H HETATM 50 H16 UNL 1 -1.652 6.075 0.930 1.00 0.00 H HETATM 51 H17 UNL 1 1.797 4.660 2.788 1.00 0.00 H HETATM 52 H18 UNL 1 1.467 2.390 1.839 1.00 0.00 H HETATM 53 H19 UNL 1 -3.391 1.996 -2.713 1.00 0.00 H HETATM 54 H20 UNL 1 -4.727 0.836 -2.820 1.00 0.00 H HETATM 55 H21 UNL 1 -4.255 1.546 -1.187 1.00 0.00 H CONECT 1 2 35 36 37 CONECT 2 3 CONECT 3 4 4 8 CONECT 4 5 38 CONECT 5 6 6 39 CONECT 6 7 40 CONECT 7 8 8 41 CONECT 8 9 CONECT 9 10 CONECT 10 11 32 32 CONECT 11 12 23 23 CONECT 12 13 42 CONECT 13 14 14 15 15 CONECT 13 16 CONECT 16 17 17 22 CONECT 17 18 43 CONECT 18 19 19 44 CONECT 19 20 21 CONECT 20 45 46 47 CONECT 21 22 22 48 CONECT 23 24 CONECT 24 25 31 31 CONECT 25 26 26 30 CONECT 26 27 49 CONECT 27 28 28 50 CONECT 28 29 CONECT 29 30 30 51 CONECT 30 52 CONECT 31 32 CONECT 32 33 CONECT 33 34 CONECT 34 53 54 55 END