COMPND HMDB0040916 HETATM 1 C1 UNL 1 5.673 0.347 -0.387 1.00 0.00 C HETATM 2 C2 UNL 1 4.543 -0.629 -0.437 1.00 0.00 C HETATM 3 C3 UNL 1 4.925 -2.081 -0.470 1.00 0.00 C HETATM 4 C4 UNL 1 3.278 -0.250 -0.450 1.00 0.00 C HETATM 5 C5 UNL 1 2.908 1.164 -0.418 1.00 0.00 C HETATM 6 C6 UNL 1 2.065 1.540 0.774 1.00 0.00 C HETATM 7 C7 UNL 1 0.797 0.815 0.850 1.00 0.00 C HETATM 8 C8 UNL 1 0.732 -0.380 1.529 1.00 0.00 C HETATM 9 C9 UNL 1 -0.488 -1.022 1.570 1.00 0.00 C HETATM 10 C10 UNL 1 -1.609 -0.502 0.961 1.00 0.00 C HETATM 11 C11 UNL 1 -1.556 0.695 0.277 1.00 0.00 C HETATM 12 C12 UNL 1 -0.330 1.326 0.244 1.00 0.00 C HETATM 13 C13 UNL 1 -2.743 1.252 -0.373 1.00 0.00 C HETATM 14 O1 UNL 1 -2.669 2.351 -0.993 1.00 0.00 O HETATM 15 C14 UNL 1 -4.029 0.565 -0.323 1.00 0.00 C HETATM 16 C15 UNL 1 -5.165 1.075 -0.931 1.00 0.00 C HETATM 17 C16 UNL 1 -6.367 0.401 -0.866 1.00 0.00 C HETATM 18 C17 UNL 1 -6.455 -0.810 -0.184 1.00 0.00 C HETATM 19 C18 UNL 1 -5.304 -1.297 0.415 1.00 0.00 C HETATM 20 C19 UNL 1 -4.094 -0.635 0.359 1.00 0.00 C HETATM 21 C20 UNL 1 -2.904 -1.182 1.004 1.00 0.00 C HETATM 22 O2 UNL 1 -2.944 -2.278 1.632 1.00 0.00 O HETATM 23 H1 UNL 1 6.639 -0.130 -0.231 1.00 0.00 H HETATM 24 H2 UNL 1 5.531 1.049 0.484 1.00 0.00 H HETATM 25 H3 UNL 1 5.649 0.996 -1.283 1.00 0.00 H HETATM 26 H4 UNL 1 5.946 -2.237 -0.089 1.00 0.00 H HETATM 27 H5 UNL 1 4.759 -2.525 -1.476 1.00 0.00 H HETATM 28 H6 UNL 1 4.246 -2.570 0.288 1.00 0.00 H HETATM 29 H7 UNL 1 2.508 -1.003 -0.486 1.00 0.00 H HETATM 30 H8 UNL 1 3.829 1.779 -0.365 1.00 0.00 H HETATM 31 H9 UNL 1 2.393 1.409 -1.368 1.00 0.00 H HETATM 32 H10 UNL 1 2.625 1.373 1.716 1.00 0.00 H HETATM 33 H11 UNL 1 1.917 2.655 0.715 1.00 0.00 H HETATM 34 H12 UNL 1 1.612 -0.815 2.023 1.00 0.00 H HETATM 35 H13 UNL 1 -0.555 -1.976 2.109 1.00 0.00 H HETATM 36 H14 UNL 1 -0.301 2.281 -0.306 1.00 0.00 H HETATM 37 H15 UNL 1 -5.108 2.031 -1.473 1.00 0.00 H HETATM 38 H16 UNL 1 -7.260 0.815 -1.352 1.00 0.00 H HETATM 39 H17 UNL 1 -7.383 -1.360 -0.117 1.00 0.00 H HETATM 40 H18 UNL 1 -5.310 -2.235 0.960 1.00 0.00 H CONECT 1 2 23 24 25 CONECT 2 3 4 4 CONECT 3 26 27 28 CONECT 4 5 29 CONECT 5 6 30 31 CONECT 6 7 32 33 CONECT 7 8 8 12 CONECT 8 9 34 CONECT 9 10 10 35 CONECT 10 11 21 CONECT 11 12 12 13 CONECT 12 36 CONECT 13 14 14 15 CONECT 15 16 16 20 CONECT 16 17 37 CONECT 17 18 18 38 CONECT 18 19 39 CONECT 19 20 20 40 CONECT 20 21 CONECT 21 22 22 END