COMPND HMDB0040336 HETATM 1 C1 UNL 1 3.507 0.583 -0.991 1.00 0.00 C HETATM 2 C2 UNL 1 2.004 0.623 -0.817 1.00 0.00 C HETATM 3 C3 UNL 1 1.636 -0.248 0.362 1.00 0.00 C HETATM 4 C4 UNL 1 2.306 0.263 1.614 1.00 0.00 C HETATM 5 C5 UNL 1 0.141 -0.350 0.545 1.00 0.00 C HETATM 6 N1 UNL 1 -0.493 -0.917 -0.615 1.00 0.00 N HETATM 7 C6 UNL 1 -1.716 -1.559 -0.175 1.00 0.00 C HETATM 8 C7 UNL 1 -2.172 -2.604 -1.158 1.00 0.00 C HETATM 9 S1 UNL 1 -2.985 -0.339 0.177 1.00 0.00 S HETATM 10 C8 UNL 1 -2.234 1.306 0.142 1.00 0.00 C HETATM 11 C9 UNL 1 -3.127 2.361 0.749 1.00 0.00 C HETATM 12 S2 UNL 1 -0.625 1.211 0.960 1.00 0.00 S HETATM 13 H1 UNL 1 3.996 0.715 0.003 1.00 0.00 H HETATM 14 H2 UNL 1 3.768 -0.413 -1.378 1.00 0.00 H HETATM 15 H3 UNL 1 3.826 1.360 -1.721 1.00 0.00 H HETATM 16 H4 UNL 1 1.647 1.647 -0.588 1.00 0.00 H HETATM 17 H5 UNL 1 1.496 0.291 -1.731 1.00 0.00 H HETATM 18 H6 UNL 1 2.024 -1.268 0.162 1.00 0.00 H HETATM 19 H7 UNL 1 2.631 1.325 1.452 1.00 0.00 H HETATM 20 H8 UNL 1 1.571 0.293 2.451 1.00 0.00 H HETATM 21 H9 UNL 1 3.157 -0.352 1.940 1.00 0.00 H HETATM 22 H10 UNL 1 -0.019 -1.049 1.407 1.00 0.00 H HETATM 23 H11 UNL 1 0.111 -1.544 -1.161 1.00 0.00 H HETATM 24 H12 UNL 1 -1.452 -2.113 0.772 1.00 0.00 H HETATM 25 H13 UNL 1 -1.405 -3.422 -1.133 1.00 0.00 H HETATM 26 H14 UNL 1 -2.331 -2.205 -2.161 1.00 0.00 H HETATM 27 H15 UNL 1 -3.091 -3.075 -0.715 1.00 0.00 H HETATM 28 H16 UNL 1 -2.029 1.539 -0.940 1.00 0.00 H HETATM 29 H17 UNL 1 -2.559 3.173 1.239 1.00 0.00 H HETATM 30 H18 UNL 1 -3.681 2.841 -0.106 1.00 0.00 H HETATM 31 H19 UNL 1 -3.903 1.926 1.411 1.00 0.00 H CONECT 1 2 13 14 15 CONECT 2 3 16 17 CONECT 3 4 5 18 CONECT 4 19 20 21 CONECT 5 6 12 22 CONECT 6 7 23 CONECT 7 8 9 24 CONECT 8 25 26 27 CONECT 9 10 CONECT 10 11 12 28 CONECT 11 29 30 31 END