COMPND HMDB0245824 HETATM 1 N1 UNL 1 3.353 -0.535 -0.791 1.00 0.00 N HETATM 2 C1 UNL 1 2.907 0.644 -0.175 1.00 0.00 C HETATM 3 S1 UNL 1 3.440 2.075 -0.733 1.00 0.00 S HETATM 4 N2 UNL 1 2.009 0.584 0.910 1.00 0.00 N HETATM 5 N3 UNL 1 1.579 -0.654 1.354 1.00 0.00 N HETATM 6 C2 UNL 1 0.388 -1.046 1.105 1.00 0.00 C HETATM 7 C3 UNL 1 -0.503 -0.188 0.358 1.00 0.00 C HETATM 8 N4 UNL 1 -0.144 1.026 -0.100 1.00 0.00 N HETATM 9 C4 UNL 1 -0.954 1.842 -0.797 1.00 0.00 C HETATM 10 C5 UNL 1 -2.231 1.379 -1.043 1.00 0.00 C HETATM 11 C6 UNL 1 -2.655 0.142 -0.597 1.00 0.00 C HETATM 12 C7 UNL 1 -1.791 -0.647 0.106 1.00 0.00 C HETATM 13 N5 UNL 1 -2.227 -1.920 0.565 1.00 0.00 N HETATM 14 H1 UNL 1 4.350 -0.634 -1.110 1.00 0.00 H HETATM 15 H2 UNL 1 2.701 -1.352 -0.950 1.00 0.00 H HETATM 16 H3 UNL 1 1.701 1.489 1.341 1.00 0.00 H HETATM 17 H4 UNL 1 0.085 -2.014 1.464 1.00 0.00 H HETATM 18 H5 UNL 1 -0.633 2.818 -1.153 1.00 0.00 H HETATM 19 H6 UNL 1 -2.946 1.976 -1.597 1.00 0.00 H HETATM 20 H7 UNL 1 -3.657 -0.222 -0.790 1.00 0.00 H HETATM 21 H8 UNL 1 -2.533 -2.616 -0.169 1.00 0.00 H HETATM 22 H9 UNL 1 -2.240 -2.146 1.584 1.00 0.00 H CONECT 1 2 14 15 CONECT 2 3 3 4 CONECT 4 5 16 CONECT 5 6 6 CONECT 6 7 17 CONECT 7 8 8 12 CONECT 8 9 CONECT 9 10 10 18 CONECT 10 11 19 CONECT 11 12 12 20 CONECT 12 13 CONECT 13 21 22 END