COMPND HMDB0244823 HETATM 1 C1 UNL 1 7.847 -0.083 1.224 1.00 0.00 C HETATM 2 O1 UNL 1 8.327 -0.634 0.035 1.00 0.00 O HETATM 3 N1 UNL 1 7.372 -0.762 -0.897 1.00 0.00 N HETATM 4 C2 UNL 1 6.246 -1.589 -0.608 1.00 0.00 C HETATM 5 N2 UNL 1 6.374 -2.827 -0.331 1.00 0.00 N HETATM 6 C3 UNL 1 4.911 -0.991 -0.633 1.00 0.00 C HETATM 7 C4 UNL 1 3.761 -1.695 -0.370 1.00 0.00 C HETATM 8 C5 UNL 1 2.516 -1.051 -0.413 1.00 0.00 C HETATM 9 C6 UNL 1 2.406 0.283 -0.714 1.00 0.00 C HETATM 10 C7 UNL 1 1.089 0.890 -0.742 1.00 0.00 C HETATM 11 C8 UNL 1 0.836 2.219 -1.029 1.00 0.00 C HETATM 12 C9 UNL 1 -0.549 2.404 -0.953 1.00 0.00 C HETATM 13 C10 UNL 1 -1.046 1.161 -0.621 1.00 0.00 C HETATM 14 C11 UNL 1 -2.482 0.893 -0.435 1.00 0.00 C HETATM 15 C12 UNL 1 -2.868 -0.379 -0.106 1.00 0.00 C HETATM 16 C13 UNL 1 -4.220 -0.663 0.076 1.00 0.00 C HETATM 17 C14 UNL 1 -5.189 0.303 -0.065 1.00 0.00 C HETATM 18 C15 UNL 1 -6.585 -0.059 0.139 1.00 0.00 C HETATM 19 N3 UNL 1 -7.549 0.785 0.025 1.00 0.00 N HETATM 20 N4 UNL 1 -6.943 -1.392 0.480 1.00 0.00 N HETATM 21 O2 UNL 1 -7.506 -1.613 1.675 1.00 0.00 O HETATM 22 C16 UNL 1 -7.179 -0.663 2.629 1.00 0.00 C HETATM 23 C17 UNL 1 -4.786 1.573 -0.395 1.00 0.00 C HETATM 24 C18 UNL 1 -3.432 1.859 -0.578 1.00 0.00 C HETATM 25 O3 UNL 1 -0.064 0.315 -0.509 1.00 0.00 O HETATM 26 C19 UNL 1 3.554 0.998 -0.979 1.00 0.00 C HETATM 27 C20 UNL 1 4.781 0.374 -0.939 1.00 0.00 C HETATM 28 H1 UNL 1 8.551 0.715 1.525 1.00 0.00 H HETATM 29 H2 UNL 1 7.791 -0.875 2.021 1.00 0.00 H HETATM 30 H3 UNL 1 6.828 0.336 1.117 1.00 0.00 H HETATM 31 H4 UNL 1 7.437 -0.284 -1.795 1.00 0.00 H HETATM 32 H5 UNL 1 5.612 -3.473 -0.116 1.00 0.00 H HETATM 33 H6 UNL 1 3.814 -2.749 -0.129 1.00 0.00 H HETATM 34 H7 UNL 1 1.646 -1.670 -0.194 1.00 0.00 H HETATM 35 H8 UNL 1 1.534 2.986 -1.268 1.00 0.00 H HETATM 36 H9 UNL 1 -1.111 3.314 -1.117 1.00 0.00 H HETATM 37 H10 UNL 1 -2.177 -1.199 0.025 1.00 0.00 H HETATM 38 H11 UNL 1 -4.553 -1.664 0.338 1.00 0.00 H HETATM 39 H12 UNL 1 -7.465 1.779 -0.213 1.00 0.00 H HETATM 40 H13 UNL 1 -6.767 -2.158 -0.189 1.00 0.00 H HETATM 41 H14 UNL 1 -8.137 -0.374 3.138 1.00 0.00 H HETATM 42 H15 UNL 1 -6.441 -1.046 3.382 1.00 0.00 H HETATM 43 H16 UNL 1 -6.748 0.254 2.217 1.00 0.00 H HETATM 44 H17 UNL 1 -5.530 2.346 -0.511 1.00 0.00 H HETATM 45 H18 UNL 1 -3.142 2.861 -0.836 1.00 0.00 H HETATM 46 H19 UNL 1 3.533 2.053 -1.222 1.00 0.00 H HETATM 47 H20 UNL 1 5.699 0.900 -1.140 1.00 0.00 H CONECT 1 2 28 29 30 CONECT 2 3 CONECT 3 4 31 CONECT 4 5 5 6 CONECT 5 32 CONECT 6 7 7 27 CONECT 7 8 33 CONECT 8 9 9 34 CONECT 9 10 26 CONECT 10 11 11 25 CONECT 11 12 35 CONECT 12 13 13 36 CONECT 13 14 25 CONECT 14 15 15 24 CONECT 15 16 37 CONECT 16 17 17 38 CONECT 17 18 23 CONECT 18 19 19 20 CONECT 19 39 CONECT 20 21 40 CONECT 21 22 CONECT 22 41 42 43 CONECT 23 24 24 44 CONECT 24 45 CONECT 26 27 27 46 CONECT 27 47 END