COMPND HMDB0013195 HETATM 1 N1 UNL 1 -4.501 0.277 0.069 1.00 0.00 N HETATM 2 C1 UNL 1 -3.078 0.188 0.041 1.00 0.00 C HETATM 3 C2 UNL 1 -2.364 0.364 -1.126 1.00 0.00 C HETATM 4 C3 UNL 1 -0.987 0.274 -1.134 1.00 0.00 C HETATM 5 C4 UNL 1 -0.257 0.008 0.006 1.00 0.00 C HETATM 6 C5 UNL 1 1.199 -0.082 -0.034 1.00 0.00 C HETATM 7 C6 UNL 1 1.949 0.286 1.062 1.00 0.00 C HETATM 8 C7 UNL 1 3.332 0.213 1.061 1.00 0.00 C HETATM 9 C8 UNL 1 4.019 -0.235 -0.049 1.00 0.00 C HETATM 10 C9 UNL 1 3.279 -0.606 -1.153 1.00 0.00 C HETATM 11 C10 UNL 1 1.902 -0.527 -1.133 1.00 0.00 C HETATM 12 C11 UNL 1 -0.973 -0.168 1.171 1.00 0.00 C HETATM 13 C12 UNL 1 -2.350 -0.078 1.181 1.00 0.00 C HETATM 14 H1 UNL 1 -5.090 0.169 -0.785 1.00 0.00 H HETATM 15 H2 UNL 1 -5.003 0.455 0.962 1.00 0.00 H HETATM 16 H3 UNL 1 -2.910 0.576 -2.045 1.00 0.00 H HETATM 17 H4 UNL 1 -0.399 0.411 -2.057 1.00 0.00 H HETATM 18 H5 UNL 1 1.395 0.638 1.933 1.00 0.00 H HETATM 19 H6 UNL 1 3.891 0.510 1.939 1.00 0.00 H HETATM 20 H7 UNL 1 5.117 -0.294 -0.053 1.00 0.00 H HETATM 21 H8 UNL 1 3.831 -0.961 -2.031 1.00 0.00 H HETATM 22 H9 UNL 1 1.357 -0.825 -2.015 1.00 0.00 H HETATM 23 H10 UNL 1 -0.433 -0.380 2.093 1.00 0.00 H HETATM 24 H11 UNL 1 -2.926 -0.214 2.096 1.00 0.00 H CONECT 1 2 14 15 CONECT 2 3 3 13 CONECT 3 4 16 CONECT 4 5 5 17 CONECT 5 6 12 CONECT 6 7 7 11 CONECT 7 8 18 CONECT 8 9 9 19 CONECT 9 10 20 CONECT 10 11 11 21 CONECT 11 22 CONECT 12 13 13 23 CONECT 13 24 END