COMPND HMDB0253565 HETATM 1 N1 UNL 1 0.251 -1.684 1.866 1.00 0.00 N HETATM 2 C1 UNL 1 0.303 -0.673 0.872 1.00 0.00 C HETATM 3 C2 UNL 1 -0.855 -0.090 0.369 1.00 0.00 C HETATM 4 C3 UNL 1 -0.769 0.880 -0.587 1.00 0.00 C HETATM 5 N2 UNL 1 0.441 1.247 -1.017 1.00 0.00 N HETATM 6 C4 UNL 1 1.597 0.692 -0.541 1.00 0.00 C HETATM 7 C5 UNL 1 1.550 -0.289 0.422 1.00 0.00 C HETATM 8 C6 UNL 1 2.931 -0.734 0.770 1.00 0.00 C HETATM 9 C7 UNL 1 3.658 -0.398 -0.540 1.00 0.00 C HETATM 10 C8 UNL 1 3.024 0.937 -0.858 1.00 0.00 C HETATM 11 C9 UNL 1 -1.960 1.554 -1.177 1.00 0.00 C HETATM 12 C10 UNL 1 -3.246 0.937 -0.737 1.00 0.00 C HETATM 13 C11 UNL 1 -3.138 -0.485 -0.298 1.00 0.00 C HETATM 14 C12 UNL 1 -2.173 -0.538 0.886 1.00 0.00 C HETATM 15 H1 UNL 1 0.058 -1.385 2.846 1.00 0.00 H HETATM 16 H2 UNL 1 0.389 -2.699 1.695 1.00 0.00 H HETATM 17 H3 UNL 1 3.356 -0.208 1.625 1.00 0.00 H HETATM 18 H4 UNL 1 3.020 -1.811 0.911 1.00 0.00 H HETATM 19 H5 UNL 1 4.744 -0.323 -0.380 1.00 0.00 H HETATM 20 H6 UNL 1 3.364 -1.138 -1.306 1.00 0.00 H HETATM 21 H7 UNL 1 3.154 1.217 -1.923 1.00 0.00 H HETATM 22 H8 UNL 1 3.478 1.684 -0.171 1.00 0.00 H HETATM 23 H9 UNL 1 -1.930 1.523 -2.304 1.00 0.00 H HETATM 24 H10 UNL 1 -1.910 2.622 -0.847 1.00 0.00 H HETATM 25 H11 UNL 1 -4.018 1.030 -1.556 1.00 0.00 H HETATM 26 H12 UNL 1 -3.641 1.531 0.113 1.00 0.00 H HETATM 27 H13 UNL 1 -2.823 -1.162 -1.110 1.00 0.00 H HETATM 28 H14 UNL 1 -4.129 -0.819 0.045 1.00 0.00 H HETATM 29 H15 UNL 1 -2.583 0.154 1.647 1.00 0.00 H HETATM 30 H16 UNL 1 -2.143 -1.574 1.285 1.00 0.00 H CONECT 1 2 15 16 CONECT 2 3 3 7 CONECT 3 4 14 CONECT 4 5 5 11 CONECT 5 6 CONECT 6 7 7 10 CONECT 7 8 CONECT 8 9 17 18 CONECT 9 10 19 20 CONECT 10 21 22 CONECT 11 12 23 24 CONECT 12 13 25 26 CONECT 13 14 27 28 CONECT 14 29 30 END