COMPND HMDB0006216 HETATM 1 C1 UNL 1 -3.759 2.194 -1.120 1.00 0.00 C HETATM 2 C2 UNL 1 -3.848 0.992 -0.243 1.00 0.00 C HETATM 3 C3 UNL 1 -2.747 0.286 0.121 1.00 0.00 C HETATM 4 C4 UNL 1 -1.505 0.800 -0.405 1.00 0.00 C HETATM 5 C5 UNL 1 -0.285 0.375 -0.236 1.00 0.00 C HETATM 6 C6 UNL 1 0.838 1.051 -0.871 1.00 0.00 C HETATM 7 C7 UNL 1 0.750 2.231 -1.733 1.00 0.00 C HETATM 8 C8 UNL 1 2.100 0.561 -0.660 1.00 0.00 C HETATM 9 C9 UNL 1 3.208 1.221 -1.282 1.00 0.00 C HETATM 10 C10 UNL 1 4.448 0.883 -1.163 1.00 0.00 C HETATM 11 C11 UNL 1 4.945 -0.219 -0.373 1.00 0.00 C HETATM 12 C12 UNL 1 4.172 -1.064 0.518 1.00 0.00 C HETATM 13 C13 UNL 1 6.270 -0.444 -0.404 1.00 0.00 C HETATM 14 C14 UNL 1 7.018 -1.481 0.288 1.00 0.00 C HETATM 15 O1 UNL 1 7.978 -0.926 1.168 1.00 0.00 O HETATM 16 C15 UNL 1 -3.014 -0.874 0.963 1.00 0.00 C HETATM 17 C16 UNL 1 -1.913 -1.874 1.127 1.00 0.00 C HETATM 18 C17 UNL 1 -3.466 -0.491 2.359 1.00 0.00 C HETATM 19 C18 UNL 1 -4.160 -1.689 0.315 1.00 0.00 C HETATM 20 C19 UNL 1 -5.374 -0.874 0.070 1.00 0.00 C HETATM 21 C20 UNL 1 -5.163 0.588 0.263 1.00 0.00 C HETATM 22 H1 UNL 1 -3.312 1.945 -2.125 1.00 0.00 H HETATM 23 H2 UNL 1 -3.143 2.950 -0.624 1.00 0.00 H HETATM 24 H3 UNL 1 -4.778 2.543 -1.356 1.00 0.00 H HETATM 25 H4 UNL 1 -1.603 1.707 -1.066 1.00 0.00 H HETATM 26 H5 UNL 1 -0.134 -0.470 0.394 1.00 0.00 H HETATM 27 H6 UNL 1 -0.243 2.649 -1.897 1.00 0.00 H HETATM 28 H7 UNL 1 1.372 3.061 -1.313 1.00 0.00 H HETATM 29 H8 UNL 1 1.189 1.907 -2.733 1.00 0.00 H HETATM 30 H9 UNL 1 2.062 -0.303 -0.047 1.00 0.00 H HETATM 31 H10 UNL 1 3.039 2.114 -1.940 1.00 0.00 H HETATM 32 H11 UNL 1 5.200 1.519 -1.735 1.00 0.00 H HETATM 33 H12 UNL 1 3.603 -1.866 0.057 1.00 0.00 H HETATM 34 H13 UNL 1 3.616 -0.460 1.305 1.00 0.00 H HETATM 35 H14 UNL 1 4.905 -1.632 1.198 1.00 0.00 H HETATM 36 H15 UNL 1 6.884 0.233 -1.029 1.00 0.00 H HETATM 37 H16 UNL 1 6.490 -2.256 0.827 1.00 0.00 H HETATM 38 H17 UNL 1 7.632 -2.093 -0.491 1.00 0.00 H HETATM 39 H18 UNL 1 8.100 0.006 0.887 1.00 0.00 H HETATM 40 H19 UNL 1 -1.246 -1.593 1.944 1.00 0.00 H HETATM 41 H20 UNL 1 -1.459 -2.237 0.206 1.00 0.00 H HETATM 42 H21 UNL 1 -2.442 -2.822 1.540 1.00 0.00 H HETATM 43 H22 UNL 1 -2.846 -1.020 3.122 1.00 0.00 H HETATM 44 H23 UNL 1 -4.491 -0.869 2.513 1.00 0.00 H HETATM 45 H24 UNL 1 -3.416 0.590 2.556 1.00 0.00 H HETATM 46 H25 UNL 1 -4.401 -2.469 1.074 1.00 0.00 H HETATM 47 H26 UNL 1 -3.780 -2.219 -0.570 1.00 0.00 H HETATM 48 H27 UNL 1 -5.683 -1.045 -1.003 1.00 0.00 H HETATM 49 H28 UNL 1 -6.251 -1.188 0.669 1.00 0.00 H HETATM 50 H29 UNL 1 -5.961 1.110 -0.359 1.00 0.00 H HETATM 51 H30 UNL 1 -5.394 0.960 1.295 1.00 0.00 H CONECT 1 2 22 23 24 CONECT 2 3 3 21 CONECT 3 4 16 CONECT 4 5 5 25 CONECT 5 6 26 CONECT 6 7 8 8 CONECT 7 27 28 29 CONECT 8 9 30 CONECT 9 10 10 31 CONECT 10 11 32 CONECT 11 12 13 13 CONECT 12 33 34 35 CONECT 13 14 36 CONECT 14 15 37 38 CONECT 15 39 CONECT 16 17 18 19 CONECT 17 40 41 42 CONECT 18 43 44 45 CONECT 19 20 46 47 CONECT 20 21 48 49 CONECT 21 50 51 END