COMPND HMDB0001860 HETATM 1 C1 UNL 1 -2.736 -1.425 -0.325 1.00 0.00 C HETATM 2 N1 UNL 1 -1.702 -0.416 -0.112 1.00 0.00 N HETATM 3 C2 UNL 1 -2.030 0.864 0.128 1.00 0.00 C HETATM 4 O1 UNL 1 -3.248 1.178 0.166 1.00 0.00 O HETATM 5 N2 UNL 1 -1.087 1.818 0.329 1.00 0.00 N HETATM 6 C3 UNL 1 0.228 1.556 0.303 1.00 0.00 C HETATM 7 N3 UNL 1 1.363 2.257 0.459 1.00 0.00 N HETATM 8 C4 UNL 1 2.434 1.454 0.324 1.00 0.00 C HETATM 9 N4 UNL 1 1.934 0.230 0.079 1.00 0.00 N HETATM 10 C5 UNL 1 2.739 -0.961 -0.136 1.00 0.00 C HETATM 11 C6 UNL 1 0.592 0.241 0.056 1.00 0.00 C HETATM 12 C7 UNL 1 -0.389 -0.713 -0.145 1.00 0.00 C HETATM 13 O2 UNL 1 -0.023 -1.903 -0.368 1.00 0.00 O HETATM 14 H1 UNL 1 -2.262 -2.353 -0.671 1.00 0.00 H HETATM 15 H2 UNL 1 -3.464 -1.116 -1.081 1.00 0.00 H HETATM 16 H3 UNL 1 -3.267 -1.547 0.640 1.00 0.00 H HETATM 17 H4 UNL 1 -1.373 2.818 0.517 1.00 0.00 H HETATM 18 H5 UNL 1 3.492 1.741 0.398 1.00 0.00 H HETATM 19 H6 UNL 1 2.830 -1.454 0.860 1.00 0.00 H HETATM 20 H7 UNL 1 3.732 -0.649 -0.542 1.00 0.00 H HETATM 21 H8 UNL 1 2.240 -1.619 -0.880 1.00 0.00 H CONECT 1 2 14 15 16 CONECT 2 3 12 CONECT 3 4 4 5 CONECT 5 6 17 CONECT 6 7 11 11 CONECT 7 8 8 CONECT 8 9 18 CONECT 9 10 11 CONECT 10 19 20 21 CONECT 11 12 CONECT 12 13 13 END