COMPND HMDB0015255 HETATM 1 N1 UNL 1 -4.775 1.357 0.019 1.00 0.00 N HETATM 2 C1 UNL 1 -3.581 0.599 0.186 1.00 0.00 C HETATM 3 C2 UNL 1 -3.599 -0.707 0.633 1.00 0.00 C HETATM 4 C3 UNL 1 -2.411 -1.397 0.777 1.00 0.00 C HETATM 5 C4 UNL 1 -1.187 -0.802 0.480 1.00 0.00 C HETATM 6 C5 UNL 1 -0.003 -1.495 0.626 1.00 0.00 C HETATM 7 C6 UNL 1 1.187 -0.846 0.313 1.00 0.00 C HETATM 8 C7 UNL 1 2.393 -1.504 0.445 1.00 0.00 C HETATM 9 C8 UNL 1 3.607 -0.930 0.157 1.00 0.00 C HETATM 10 C9 UNL 1 3.577 0.379 -0.287 1.00 0.00 C HETATM 11 N2 UNL 1 4.785 1.022 -0.599 1.00 0.00 N HETATM 12 C10 UNL 1 2.384 1.067 -0.430 1.00 0.00 C HETATM 13 C11 UNL 1 1.183 0.460 -0.132 1.00 0.00 C HETATM 14 N3 UNL 1 -0.001 1.087 -0.255 1.00 0.00 N HETATM 15 C12 UNL 1 -1.186 0.500 0.036 1.00 0.00 C HETATM 16 C13 UNL 1 -2.391 1.186 -0.105 1.00 0.00 C HETATM 17 H1 UNL 1 -4.881 2.099 -0.712 1.00 0.00 H HETATM 18 H2 UNL 1 -5.618 1.201 0.634 1.00 0.00 H HETATM 19 H3 UNL 1 -4.562 -1.161 0.861 1.00 0.00 H HETATM 20 H4 UNL 1 -2.412 -2.416 1.124 1.00 0.00 H HETATM 21 H5 UNL 1 0.032 -2.516 0.971 1.00 0.00 H HETATM 22 H6 UNL 1 2.376 -2.537 0.799 1.00 0.00 H HETATM 23 H7 UNL 1 4.543 -1.460 0.266 1.00 0.00 H HETATM 24 H8 UNL 1 5.644 0.818 -0.049 1.00 0.00 H HETATM 25 H9 UNL 1 4.849 1.705 -1.374 1.00 0.00 H HETATM 26 H10 UNL 1 2.408 2.090 -0.781 1.00 0.00 H HETATM 27 H11 UNL 1 -2.362 2.203 -0.454 1.00 0.00 H CONECT 1 2 17 18 CONECT 2 3 3 16 CONECT 3 4 19 CONECT 4 5 5 20 CONECT 5 6 15 CONECT 6 7 7 21 CONECT 7 8 13 CONECT 8 9 9 22 CONECT 9 10 23 CONECT 10 11 12 12 CONECT 11 24 25 CONECT 12 13 26 CONECT 13 14 14 CONECT 14 15 CONECT 15 16 16 CONECT 16 27 END