COMPND HMDB0303259 HETATM 1 C1 UNL 1 -5.152 -0.115 -0.320 1.00 0.00 C HETATM 2 S1 UNL 1 -3.871 0.372 0.841 1.00 0.00 S HETATM 3 C2 UNL 1 -2.273 0.648 -0.012 1.00 0.00 C HETATM 4 S2 UNL 1 -1.092 1.132 1.306 1.00 0.00 S HETATM 5 S3 UNL 1 0.832 1.492 0.477 1.00 0.00 S HETATM 6 C3 UNL 1 1.820 0.010 0.451 1.00 0.00 C HETATM 7 C4 UNL 1 1.518 -1.262 0.872 1.00 0.00 C HETATM 8 C5 UNL 1 2.650 -2.031 0.620 1.00 0.00 C HETATM 9 O1 UNL 1 3.555 -1.275 0.089 1.00 0.00 O HETATM 10 C6 UNL 1 3.109 -0.032 -0.036 1.00 0.00 C HETATM 11 C7 UNL 1 3.901 1.086 -0.609 1.00 0.00 C HETATM 12 H1 UNL 1 -5.130 -1.243 -0.375 1.00 0.00 H HETATM 13 H2 UNL 1 -6.142 0.190 0.041 1.00 0.00 H HETATM 14 H3 UNL 1 -4.974 0.356 -1.289 1.00 0.00 H HETATM 15 H4 UNL 1 -1.968 -0.301 -0.476 1.00 0.00 H HETATM 16 H5 UNL 1 -2.372 1.465 -0.770 1.00 0.00 H HETATM 17 H6 UNL 1 0.593 -1.569 1.302 1.00 0.00 H HETATM 18 H7 UNL 1 2.769 -3.077 0.824 1.00 0.00 H HETATM 19 H8 UNL 1 3.222 1.682 -1.250 1.00 0.00 H HETATM 20 H9 UNL 1 4.254 1.790 0.191 1.00 0.00 H HETATM 21 H10 UNL 1 4.751 0.683 -1.192 1.00 0.00 H CONECT 1 2 12 13 14 CONECT 2 3 CONECT 3 4 15 16 CONECT 4 5 CONECT 5 6 CONECT 6 7 10 10 CONECT 7 8 8 17 CONECT 8 9 18 CONECT 9 10 CONECT 10 11 CONECT 11 19 20 21 END