COMPND HMDB0001938 HETATM 1 N1 UNL 1 -2.756 -0.947 -4.271 1.00 0.00 N HETATM 2 C1 UNL 1 -2.694 -2.227 -3.632 1.00 0.00 C HETATM 3 C2 UNL 1 -1.375 -2.501 -2.961 1.00 0.00 C HETATM 4 C3 UNL 1 -1.061 -1.489 -1.870 1.00 0.00 C HETATM 5 C4 UNL 1 0.270 -1.796 -1.232 1.00 0.00 C HETATM 6 C5 UNL 1 0.520 -0.727 -0.149 1.00 0.00 C HETATM 7 N2 UNL 1 1.778 -0.985 0.477 1.00 0.00 N HETATM 8 C6 UNL 1 2.962 -0.993 -0.237 1.00 0.00 C HETATM 9 C7 UNL 1 3.975 0.023 0.067 1.00 0.00 C HETATM 10 C8 UNL 1 3.837 1.459 -0.065 1.00 0.00 C HETATM 11 C9 UNL 1 2.826 2.179 0.704 1.00 0.00 C HETATM 12 C10 UNL 1 1.624 2.620 0.200 1.00 0.00 C HETATM 13 C11 UNL 1 0.684 3.312 0.968 1.00 0.00 C HETATM 14 C12 UNL 1 0.953 3.571 2.277 1.00 0.00 C HETATM 15 C13 UNL 1 2.164 3.130 2.796 1.00 0.00 C HETATM 16 C14 UNL 1 3.086 2.451 2.043 1.00 0.00 C HETATM 17 C15 UNL 1 3.637 -2.337 0.048 1.00 0.00 C HETATM 18 O1 UNL 1 3.077 -3.173 0.783 1.00 0.00 O HETATM 19 O2 UNL 1 4.863 -2.595 -0.523 1.00 0.00 O HETATM 20 C16 UNL 1 -0.514 -1.074 0.894 1.00 0.00 C HETATM 21 O3 UNL 1 -0.178 -2.077 1.618 1.00 0.00 O HETATM 22 N3 UNL 1 -1.720 -0.440 1.120 1.00 0.00 N HETATM 23 C17 UNL 1 -2.693 -0.874 2.136 1.00 0.00 C HETATM 24 C18 UNL 1 -3.984 -0.208 1.787 1.00 0.00 C HETATM 25 C19 UNL 1 -3.753 0.292 0.381 1.00 0.00 C HETATM 26 C20 UNL 1 -2.289 0.746 0.499 1.00 0.00 C HETATM 27 C21 UNL 1 -2.274 1.849 1.524 1.00 0.00 C HETATM 28 O4 UNL 1 -1.782 1.660 2.652 1.00 0.00 O HETATM 29 O5 UNL 1 -2.813 3.071 1.203 1.00 0.00 O HETATM 30 H1 UNL 1 -1.824 -0.491 -4.203 1.00 0.00 H HETATM 31 H2 UNL 1 -3.493 -0.305 -3.910 1.00 0.00 H HETATM 32 H3 UNL 1 -3.478 -2.345 -2.826 1.00 0.00 H HETATM 33 H4 UNL 1 -2.888 -3.069 -4.333 1.00 0.00 H HETATM 34 H5 UNL 1 -0.554 -2.503 -3.731 1.00 0.00 H HETATM 35 H6 UNL 1 -1.444 -3.496 -2.457 1.00 0.00 H HETATM 36 H7 UNL 1 -1.118 -0.486 -2.306 1.00 0.00 H HETATM 37 H8 UNL 1 -1.898 -1.580 -1.135 1.00 0.00 H HETATM 38 H9 UNL 1 0.249 -2.748 -0.667 1.00 0.00 H HETATM 39 H10 UNL 1 1.018 -1.776 -2.027 1.00 0.00 H HETATM 40 H11 UNL 1 0.435 0.269 -0.521 1.00 0.00 H HETATM 41 H12 UNL 1 1.792 -0.514 1.391 1.00 0.00 H HETATM 42 H13 UNL 1 2.764 -1.010 -1.385 1.00 0.00 H HETATM 43 H14 UNL 1 4.996 -0.323 -0.403 1.00 0.00 H HETATM 44 H15 UNL 1 4.285 -0.175 1.185 1.00 0.00 H HETATM 45 H16 UNL 1 3.841 1.811 -1.150 1.00 0.00 H HETATM 46 H17 UNL 1 4.838 1.911 0.293 1.00 0.00 H HETATM 47 H18 UNL 1 1.422 2.415 -0.848 1.00 0.00 H HETATM 48 H19 UNL 1 -0.231 3.641 0.538 1.00 0.00 H HETATM 49 H20 UNL 1 0.303 4.093 2.964 1.00 0.00 H HETATM 50 H21 UNL 1 2.413 3.317 3.842 1.00 0.00 H HETATM 51 H22 UNL 1 4.015 2.119 2.458 1.00 0.00 H HETATM 52 H23 UNL 1 5.097 -3.520 -0.856 1.00 0.00 H HETATM 53 H24 UNL 1 -2.298 -0.576 3.133 1.00 0.00 H HETATM 54 H25 UNL 1 -2.820 -1.969 2.114 1.00 0.00 H HETATM 55 H26 UNL 1 -4.887 -0.836 1.901 1.00 0.00 H HETATM 56 H27 UNL 1 -4.093 0.673 2.485 1.00 0.00 H HETATM 57 H28 UNL 1 -3.849 -0.534 -0.313 1.00 0.00 H HETATM 58 H29 UNL 1 -4.422 1.156 0.190 1.00 0.00 H HETATM 59 H30 UNL 1 -1.847 1.027 -0.449 1.00 0.00 H HETATM 60 H31 UNL 1 -2.690 3.904 1.791 1.00 0.00 H CONECT 1 2 30 31 CONECT 2 3 32 33 CONECT 3 4 34 35 CONECT 4 5 36 37 CONECT 5 6 38 39 CONECT 6 7 20 40 CONECT 7 8 41 CONECT 8 9 17 42 CONECT 9 10 43 44 CONECT 10 11 45 46 CONECT 11 12 12 16 CONECT 12 13 47 CONECT 13 14 14 48 CONECT 14 15 49 CONECT 15 16 16 50 CONECT 16 51 CONECT 17 18 18 19 CONECT 19 52 CONECT 20 21 21 22 CONECT 22 23 26 CONECT 23 24 53 54 CONECT 24 25 55 56 CONECT 25 26 57 58 CONECT 26 27 59 CONECT 27 28 28 29 CONECT 29 60 END