COMPND HMDB0031862 HETATM 1 C1 UNL 1 -1.314 1.105 -0.983 1.00 0.00 C HETATM 2 C2 UNL 1 -1.545 -0.246 -0.388 1.00 0.00 C HETATM 3 C3 UNL 1 -1.685 -0.112 1.110 1.00 0.00 C HETATM 4 C4 UNL 1 -0.416 -1.210 -0.694 1.00 0.00 C HETATM 5 C5 UNL 1 0.873 -0.659 -0.130 1.00 0.00 C HETATM 6 N1 UNL 1 1.757 0.131 -0.699 1.00 0.00 N HETATM 7 C6 UNL 1 2.822 0.506 -0.046 1.00 0.00 C HETATM 8 C7 UNL 1 2.957 0.036 1.242 1.00 0.00 C HETATM 9 S1 UNL 1 1.546 -0.908 1.415 1.00 0.00 S HETATM 10 H1 UNL 1 -0.685 1.767 -0.368 1.00 0.00 H HETATM 11 H2 UNL 1 -0.918 1.059 -2.019 1.00 0.00 H HETATM 12 H3 UNL 1 -2.320 1.603 -1.077 1.00 0.00 H HETATM 13 H4 UNL 1 -2.464 -0.674 -0.840 1.00 0.00 H HETATM 14 H5 UNL 1 -0.731 0.237 1.530 1.00 0.00 H HETATM 15 H6 UNL 1 -2.522 0.586 1.326 1.00 0.00 H HETATM 16 H7 UNL 1 -1.879 -1.132 1.511 1.00 0.00 H HETATM 17 H8 UNL 1 -0.271 -1.331 -1.779 1.00 0.00 H HETATM 18 H9 UNL 1 -0.605 -2.191 -0.250 1.00 0.00 H HETATM 19 H10 UNL 1 3.610 1.180 -0.483 1.00 0.00 H HETATM 20 H11 UNL 1 3.791 0.252 1.936 1.00 0.00 H CONECT 1 2 10 11 12 CONECT 2 3 4 13 CONECT 3 14 15 16 CONECT 4 5 17 18 CONECT 5 6 6 9 CONECT 6 7 CONECT 7 8 8 19 CONECT 8 9 20 END