COMPND HMDB0032943 HETATM 1 C1 UNL 1 3.654 2.217 -0.133 1.00 0.00 C HETATM 2 C2 UNL 1 3.626 0.779 0.400 1.00 0.00 C HETATM 3 O1 UNL 1 3.240 -0.026 -0.662 1.00 0.00 O HETATM 4 P1 UNL 1 1.741 -0.671 -0.511 1.00 0.00 P HETATM 5 S1 UNL 1 0.778 -0.193 -1.868 1.00 0.00 S HETATM 6 O2 UNL 1 1.735 -2.337 -0.302 1.00 0.00 O HETATM 7 C3 UNL 1 2.943 -2.890 -0.761 1.00 0.00 C HETATM 8 C4 UNL 1 3.898 -2.860 0.421 1.00 0.00 C HETATM 9 O3 UNL 1 0.879 -0.106 0.952 1.00 0.00 O HETATM 10 C5 UNL 1 -0.371 0.352 0.587 1.00 0.00 C HETATM 11 C6 UNL 1 -0.552 1.689 0.377 1.00 0.00 C HETATM 12 C7 UNL 1 -1.729 2.226 -0.038 1.00 0.00 C HETATM 13 C8 UNL 1 -1.814 3.684 -0.285 1.00 0.00 C HETATM 14 N1 UNL 1 -2.810 1.389 -0.230 1.00 0.00 N HETATM 15 C9 UNL 1 -2.632 0.064 -0.013 1.00 0.00 C HETATM 16 C10 UNL 1 -3.771 -0.884 -0.218 1.00 0.00 C HETATM 17 C11 UNL 1 -5.054 -0.113 0.119 1.00 0.00 C HETATM 18 C12 UNL 1 -3.628 -2.139 0.625 1.00 0.00 C HETATM 19 N2 UNL 1 -1.427 -0.427 0.380 1.00 0.00 N HETATM 20 H1 UNL 1 2.578 2.389 -0.515 1.00 0.00 H HETATM 21 H2 UNL 1 4.332 2.289 -0.982 1.00 0.00 H HETATM 22 H3 UNL 1 3.804 2.886 0.693 1.00 0.00 H HETATM 23 H4 UNL 1 3.219 0.659 1.363 1.00 0.00 H HETATM 24 H5 UNL 1 4.755 0.565 0.510 1.00 0.00 H HETATM 25 H6 UNL 1 2.670 -4.000 -0.830 1.00 0.00 H HETATM 26 H7 UNL 1 3.311 -2.568 -1.706 1.00 0.00 H HETATM 27 H8 UNL 1 3.463 -2.147 1.211 1.00 0.00 H HETATM 28 H9 UNL 1 4.797 -2.312 0.036 1.00 0.00 H HETATM 29 H10 UNL 1 4.129 -3.768 0.896 1.00 0.00 H HETATM 30 H11 UNL 1 0.292 2.348 0.609 1.00 0.00 H HETATM 31 H12 UNL 1 -2.462 3.855 -1.191 1.00 0.00 H HETATM 32 H13 UNL 1 -0.801 4.095 -0.484 1.00 0.00 H HETATM 33 H14 UNL 1 -2.278 4.173 0.583 1.00 0.00 H HETATM 34 H15 UNL 1 -3.773 -1.213 -1.273 1.00 0.00 H HETATM 35 H16 UNL 1 -5.503 0.264 -0.820 1.00 0.00 H HETATM 36 H17 UNL 1 -4.783 0.775 0.758 1.00 0.00 H HETATM 37 H18 UNL 1 -5.780 -0.736 0.637 1.00 0.00 H HETATM 38 H19 UNL 1 -4.241 -2.049 1.551 1.00 0.00 H HETATM 39 H20 UNL 1 -2.534 -2.210 0.860 1.00 0.00 H HETATM 40 H21 UNL 1 -3.900 -3.050 0.080 1.00 0.00 H CONECT 1 2 20 21 22 CONECT 2 3 23 24 CONECT 3 4 CONECT 4 5 5 6 9 CONECT 6 7 CONECT 7 8 25 26 CONECT 8 27 28 29 CONECT 9 10 CONECT 10 11 11 19 CONECT 11 12 30 CONECT 12 13 14 14 CONECT 13 31 32 33 CONECT 14 15 CONECT 15 16 19 19 CONECT 16 17 18 34 CONECT 17 35 36 37 CONECT 18 38 39 40 END