COMPND HMDB0246356 HETATM 1 N1 UNL 1 4.812 0.639 -0.219 1.00 0.00 N HETATM 2 C1 UNL 1 3.453 0.219 -0.160 1.00 0.00 C HETATM 3 C2 UNL 1 2.508 0.940 0.521 1.00 0.00 C HETATM 4 C3 UNL 1 1.177 0.517 0.572 1.00 0.00 C HETATM 5 C4 UNL 1 0.765 -0.619 -0.050 1.00 0.00 C HETATM 6 N2 UNL 1 -0.530 -1.138 -0.100 1.00 0.00 N HETATM 7 C5 UNL 1 -1.758 -0.467 0.075 1.00 0.00 C HETATM 8 C6 UNL 1 -1.940 0.885 -0.108 1.00 0.00 C HETATM 9 C7 UNL 1 -3.162 1.527 0.098 1.00 0.00 C HETATM 10 C8 UNL 1 -4.260 0.800 0.504 1.00 0.00 C HETATM 11 C9 UNL 1 -4.117 -0.550 0.695 1.00 0.00 C HETATM 12 C10 UNL 1 -2.907 -1.161 0.488 1.00 0.00 C HETATM 13 C11 UNL 1 1.762 -1.327 -0.735 1.00 0.00 C HETATM 14 C12 UNL 1 3.073 -0.924 -0.793 1.00 0.00 C HETATM 15 H1 UNL 1 5.600 -0.020 -0.176 1.00 0.00 H HETATM 16 H2 UNL 1 5.002 1.648 -0.309 1.00 0.00 H HETATM 17 H3 UNL 1 2.828 1.840 1.014 1.00 0.00 H HETATM 18 H4 UNL 1 0.475 1.101 1.131 1.00 0.00 H HETATM 19 H5 UNL 1 -0.642 -2.190 -0.296 1.00 0.00 H HETATM 20 H6 UNL 1 -1.131 1.517 -0.443 1.00 0.00 H HETATM 21 H7 UNL 1 -3.296 2.582 -0.046 1.00 0.00 H HETATM 22 H8 UNL 1 -5.224 1.243 0.677 1.00 0.00 H HETATM 23 H9 UNL 1 -4.985 -1.107 1.013 1.00 0.00 H HETATM 24 H10 UNL 1 -2.829 -2.216 0.646 1.00 0.00 H HETATM 25 H11 UNL 1 1.492 -2.254 -1.257 1.00 0.00 H HETATM 26 H12 UNL 1 3.835 -1.484 -1.329 1.00 0.00 H CONECT 1 2 15 16 CONECT 2 3 3 14 CONECT 3 4 17 CONECT 4 5 5 18 CONECT 5 6 13 CONECT 6 7 19 CONECT 7 8 8 12 CONECT 8 9 20 CONECT 9 10 10 21 CONECT 10 11 22 CONECT 11 12 12 23 CONECT 12 24 CONECT 13 14 14 25 CONECT 14 26 END