COMPND HMDB0032756 HETATM 1 C1 UNL 1 5.031 0.950 0.762 1.00 0.00 C HETATM 2 N1 UNL 1 3.758 0.291 0.910 1.00 0.00 N HETATM 3 C2 UNL 1 2.739 0.462 -0.081 1.00 0.00 C HETATM 4 O1 UNL 1 2.984 1.191 -1.069 1.00 0.00 O HETATM 5 C3 UNL 1 1.423 -0.208 0.055 1.00 0.00 C HETATM 6 C4 UNL 1 0.579 0.163 -1.128 1.00 0.00 C HETATM 7 C5 UNL 1 -0.759 -0.475 -1.056 1.00 0.00 C HETATM 8 C6 UNL 1 -1.227 -1.560 -1.762 1.00 0.00 C HETATM 9 N2 UNL 1 -2.493 -1.823 -1.403 1.00 0.00 N HETATM 10 C7 UNL 1 -2.909 -0.937 -0.460 1.00 0.00 C HETATM 11 C8 UNL 1 -4.084 -0.762 0.227 1.00 0.00 C HETATM 12 C9 UNL 1 -4.189 0.249 1.134 1.00 0.00 C HETATM 13 C10 UNL 1 -3.121 1.083 1.352 1.00 0.00 C HETATM 14 C11 UNL 1 -1.949 0.909 0.666 1.00 0.00 C HETATM 15 C12 UNL 1 -1.813 -0.097 -0.251 1.00 0.00 C HETATM 16 H1 UNL 1 5.262 1.647 1.574 1.00 0.00 H HETATM 17 H2 UNL 1 5.816 0.151 0.770 1.00 0.00 H HETATM 18 H3 UNL 1 5.110 1.454 -0.229 1.00 0.00 H HETATM 19 H4 UNL 1 3.617 -0.301 1.752 1.00 0.00 H HETATM 20 H5 UNL 1 0.961 0.069 1.023 1.00 0.00 H HETATM 21 H6 UNL 1 1.628 -1.297 0.109 1.00 0.00 H HETATM 22 H7 UNL 1 1.121 -0.210 -2.036 1.00 0.00 H HETATM 23 H8 UNL 1 0.472 1.243 -1.250 1.00 0.00 H HETATM 24 H9 UNL 1 -0.616 -2.083 -2.487 1.00 0.00 H HETATM 25 H10 UNL 1 -3.093 -2.595 -1.784 1.00 0.00 H HETATM 26 H11 UNL 1 -4.911 -1.413 0.054 1.00 0.00 H HETATM 27 H12 UNL 1 -5.090 0.440 1.710 1.00 0.00 H HETATM 28 H13 UNL 1 -3.164 1.907 2.071 1.00 0.00 H HETATM 29 H14 UNL 1 -1.081 1.553 0.814 1.00 0.00 H CONECT 1 2 16 17 18 CONECT 2 3 19 CONECT 3 4 4 5 CONECT 5 6 20 21 CONECT 6 7 22 23 CONECT 7 8 8 15 CONECT 8 9 24 CONECT 9 10 25 CONECT 10 11 11 15 CONECT 11 12 26 CONECT 12 13 13 27 CONECT 13 14 28 CONECT 14 15 15 29 END