COMPND HMDB0014823 HETATM 1 N1 UNL 1 4.816 1.444 -2.023 1.00 0.00 N HETATM 2 C1 UNL 1 3.853 0.966 -1.053 1.00 0.00 C HETATM 3 C2 UNL 1 4.453 0.399 0.195 1.00 0.00 C HETATM 4 C3 UNL 1 3.583 -0.570 0.941 1.00 0.00 C HETATM 5 N2 UNL 1 2.333 0.122 1.194 1.00 0.00 N HETATM 6 C4 UNL 1 1.051 -0.488 1.402 1.00 0.00 C HETATM 7 N3 UNL 1 0.027 -0.213 0.575 1.00 0.00 N HETATM 8 C5 UNL 1 -1.181 -0.777 0.756 1.00 0.00 C HETATM 9 C6 UNL 1 -1.348 -1.649 1.816 1.00 0.00 C HETATM 10 C7 UNL 1 -0.323 -1.960 2.690 1.00 0.00 C HETATM 11 C8 UNL 1 0.898 -1.359 2.465 1.00 0.00 C HETATM 12 F1 UNL 1 1.970 -1.612 3.285 1.00 0.00 F HETATM 13 C9 UNL 1 -2.600 -2.219 1.985 1.00 0.00 C HETATM 14 O1 UNL 1 -2.740 -3.003 2.942 1.00 0.00 O HETATM 15 C10 UNL 1 -3.660 -1.951 1.150 1.00 0.00 C HETATM 16 C11 UNL 1 -4.974 -2.553 1.333 1.00 0.00 C HETATM 17 O2 UNL 1 -5.128 -3.345 2.294 1.00 0.00 O HETATM 18 O3 UNL 1 -6.046 -2.299 0.512 1.00 0.00 O HETATM 19 C12 UNL 1 -3.414 -1.061 0.104 1.00 0.00 C HETATM 20 N4 UNL 1 -2.212 -0.491 -0.088 1.00 0.00 N HETATM 21 C13 UNL 1 -1.989 0.414 -1.165 1.00 0.00 C HETATM 22 C14 UNL 1 -0.958 0.272 -2.070 1.00 0.00 C HETATM 23 C15 UNL 1 -0.768 1.165 -3.104 1.00 0.00 C HETATM 24 C16 UNL 1 -1.605 2.239 -3.273 1.00 0.00 C HETATM 25 F2 UNL 1 -1.412 3.125 -4.302 1.00 0.00 F HETATM 26 C17 UNL 1 -2.641 2.402 -2.381 1.00 0.00 C HETATM 27 C18 UNL 1 -2.827 1.507 -1.350 1.00 0.00 C HETATM 28 F3 UNL 1 -3.846 1.696 -0.500 1.00 0.00 F HETATM 29 C19 UNL 1 2.652 1.527 1.191 1.00 0.00 C HETATM 30 C20 UNL 1 3.740 1.732 0.190 1.00 0.00 C HETATM 31 H1 UNL 1 4.315 1.630 -2.932 1.00 0.00 H HETATM 32 H2 UNL 1 5.205 2.388 -1.731 1.00 0.00 H HETATM 33 H3 UNL 1 3.012 0.408 -1.504 1.00 0.00 H HETATM 34 H4 UNL 1 5.529 0.470 0.393 1.00 0.00 H HETATM 35 H5 UNL 1 3.417 -1.449 0.270 1.00 0.00 H HETATM 36 H6 UNL 1 4.071 -0.897 1.900 1.00 0.00 H HETATM 37 H7 UNL 1 -0.467 -2.642 3.512 1.00 0.00 H HETATM 38 H8 UNL 1 -6.244 -2.846 -0.293 1.00 0.00 H HETATM 39 H9 UNL 1 -4.228 -0.836 -0.561 1.00 0.00 H HETATM 40 H10 UNL 1 -0.279 -0.571 -1.961 1.00 0.00 H HETATM 41 H11 UNL 1 0.051 1.048 -3.819 1.00 0.00 H HETATM 42 H12 UNL 1 -3.293 3.253 -2.526 1.00 0.00 H HETATM 43 H13 UNL 1 3.096 1.748 2.204 1.00 0.00 H HETATM 44 H14 UNL 1 1.780 2.174 1.053 1.00 0.00 H HETATM 45 H15 UNL 1 4.330 2.664 0.284 1.00 0.00 H CONECT 1 2 31 32 CONECT 2 3 30 33 CONECT 3 4 30 34 CONECT 4 5 35 36 CONECT 5 6 29 CONECT 6 7 7 11 CONECT 7 8 CONECT 8 9 9 20 CONECT 9 10 13 CONECT 10 11 11 37 CONECT 11 12 CONECT 13 14 14 15 CONECT 15 16 19 19 CONECT 16 17 17 18 CONECT 18 38 CONECT 19 20 39 CONECT 20 21 CONECT 21 22 22 27 CONECT 22 23 40 CONECT 23 24 24 41 CONECT 24 25 26 CONECT 26 27 27 42 CONECT 27 28 CONECT 29 30 43 44 CONECT 30 45 END