COMPND HMDB0000101 HETATM 1 N1 UNL 1 5.317 0.158 -0.450 1.00 0.00 N HETATM 2 C1 UNL 1 4.054 -0.431 -0.219 1.00 0.00 C HETATM 3 N2 UNL 1 3.934 -1.650 0.310 1.00 0.00 N HETATM 4 C2 UNL 1 2.724 -2.196 0.523 1.00 0.00 C HETATM 5 N3 UNL 1 1.583 -1.550 0.218 1.00 0.00 N HETATM 6 C3 UNL 1 1.639 -0.327 -0.315 1.00 0.00 C HETATM 7 C4 UNL 1 2.877 0.234 -0.534 1.00 0.00 C HETATM 8 N4 UNL 1 2.650 1.429 -1.060 1.00 0.00 N HETATM 9 C5 UNL 1 1.332 1.611 -1.166 1.00 0.00 C HETATM 10 N5 UNL 1 0.676 0.506 -0.698 1.00 0.00 N HETATM 11 C6 UNL 1 -0.741 0.411 -0.685 1.00 0.00 C HETATM 12 C7 UNL 1 -1.308 -0.951 -0.738 1.00 0.00 C HETATM 13 C8 UNL 1 -2.446 -0.869 0.290 1.00 0.00 C HETATM 14 O1 UNL 1 -3.559 -1.552 -0.130 1.00 0.00 O HETATM 15 C9 UNL 1 -2.640 0.633 0.335 1.00 0.00 C HETATM 16 C10 UNL 1 -3.453 1.059 1.534 1.00 0.00 C HETATM 17 O2 UNL 1 -3.459 2.448 1.639 1.00 0.00 O HETATM 18 O3 UNL 1 -1.313 1.068 0.429 1.00 0.00 O HETATM 19 H1 UNL 1 5.440 0.995 -1.046 1.00 0.00 H HETATM 20 H2 UNL 1 6.166 -0.255 -0.010 1.00 0.00 H HETATM 21 H3 UNL 1 2.724 -3.196 0.960 1.00 0.00 H HETATM 22 H4 UNL 1 0.889 2.511 -1.568 1.00 0.00 H HETATM 23 H5 UNL 1 -1.142 0.973 -1.570 1.00 0.00 H HETATM 24 H6 UNL 1 -1.838 -1.165 -1.713 1.00 0.00 H HETATM 25 H7 UNL 1 -0.649 -1.787 -0.550 1.00 0.00 H HETATM 26 H8 UNL 1 -2.056 -1.199 1.274 1.00 0.00 H HETATM 27 H9 UNL 1 -4.051 -1.962 0.647 1.00 0.00 H HETATM 28 H10 UNL 1 -3.063 0.967 -0.613 1.00 0.00 H HETATM 29 H11 UNL 1 -3.125 0.562 2.462 1.00 0.00 H HETATM 30 H12 UNL 1 -4.509 0.763 1.321 1.00 0.00 H HETATM 31 H13 UNL 1 -2.653 2.763 2.127 1.00 0.00 H CONECT 1 2 19 20 CONECT 2 3 3 7 CONECT 3 4 CONECT 4 5 5 21 CONECT 5 6 CONECT 6 7 7 10 CONECT 7 8 CONECT 8 9 9 CONECT 9 10 22 CONECT 10 11 CONECT 11 12 18 23 CONECT 12 13 24 25 CONECT 13 14 15 26 CONECT 14 27 CONECT 15 16 18 28 CONECT 16 17 29 30 CONECT 17 31 END