COMPND HMDB0014380 HETATM 1 C1 UNL 1 -0.315 1.973 -1.183 1.00 0.00 C HETATM 2 C2 UNL 1 -1.034 0.805 -0.602 1.00 0.00 C HETATM 3 N1 UNL 1 -2.392 0.693 -0.737 1.00 0.00 N HETATM 4 C3 UNL 1 -3.056 -0.359 -0.226 1.00 0.00 C HETATM 5 O1 UNL 1 -4.323 -0.427 -0.372 1.00 0.00 O HETATM 6 C4 UNL 1 -2.380 -1.351 0.449 1.00 0.00 C HETATM 7 C5 UNL 1 -3.074 -2.473 0.997 1.00 0.00 C HETATM 8 N2 UNL 1 -3.626 -3.390 1.431 1.00 0.00 N HETATM 9 C6 UNL 1 -1.011 -1.233 0.582 1.00 0.00 C HETATM 10 C7 UNL 1 -0.304 -0.150 0.059 1.00 0.00 C HETATM 11 C8 UNL 1 1.132 -0.067 0.231 1.00 0.00 C HETATM 12 C9 UNL 1 1.783 1.064 0.670 1.00 0.00 C HETATM 13 C10 UNL 1 3.133 1.080 0.809 1.00 0.00 C HETATM 14 N3 UNL 1 3.870 -0.007 0.522 1.00 0.00 N HETATM 15 C11 UNL 1 3.283 -1.117 0.096 1.00 0.00 C HETATM 16 C12 UNL 1 1.919 -1.163 -0.054 1.00 0.00 C HETATM 17 H1 UNL 1 -0.448 2.866 -0.519 1.00 0.00 H HETATM 18 H2 UNL 1 -0.827 2.245 -2.136 1.00 0.00 H HETATM 19 H3 UNL 1 0.721 1.745 -1.419 1.00 0.00 H HETATM 20 H4 UNL 1 -2.922 1.425 -1.240 1.00 0.00 H HETATM 21 H5 UNL 1 -0.428 -1.995 1.109 1.00 0.00 H HETATM 22 H6 UNL 1 1.227 1.974 0.920 1.00 0.00 H HETATM 23 H7 UNL 1 3.664 1.963 1.154 1.00 0.00 H HETATM 24 H8 UNL 1 3.911 -1.995 -0.133 1.00 0.00 H HETATM 25 H9 UNL 1 1.497 -2.105 -0.408 1.00 0.00 H CONECT 1 2 17 18 19 CONECT 2 3 10 10 CONECT 3 4 20 CONECT 4 5 5 6 CONECT 6 7 9 9 CONECT 7 8 8 8 CONECT 9 10 21 CONECT 10 11 CONECT 11 12 12 16 CONECT 12 13 22 CONECT 13 14 14 23 CONECT 14 15 CONECT 15 16 16 24 CONECT 16 25 END