@MOLECULE 92135630 24 23 1 SMALL USER_CHARGES @ATOM 1 F1 3.9174 -2.6952 -0.0482 F 1 noname 0.0000 2 O1 -1.8111 1.5940 0.3021 O.3 1 noname 0.0000 3 N1 1.2385 -0.2847 -0.5678 N.3 1 noname 0.0000 4 C1 0.0986 0.1256 0.2504 C.3 1 noname 0.0000 5 C2 2.0053 -1.3071 0.1422 C.3 1 noname 0.0000 6 C3 2.0933 0.8726 -0.8280 C.3 1 noname 0.0000 7 C4 0.7570 -0.8298 -1.8361 C.3 1 noname 0.0000 8 C5 -0.7039 1.1955 -0.4927 C.3 1 noname 0.0000 9 C6 3.1983 -1.7364 -0.7141 C.3 1 noname 0.0000 10 H1 -0.5387 -0.7372 0.4444 H 1 noname 0.0000 11 H2 0.4576 0.5320 1.1960 H 1 noname 0.0000 12 H3 1.3681 -2.1699 0.3362 H 1 noname 0.0000 13 H4 2.3643 -0.9007 1.0878 H 1 noname 0.0000 14 H5 2.9432 0.5667 -1.4381 H 1 noname 0.0000 15 H6 1.5216 1.6348 -1.3574 H 1 noname 0.0000 16 H7 2.4523 1.2790 0.1176 H 1 noname 0.0000 17 H8 1.6069 -1.1357 -2.4462 H 1 noname 0.0000 18 H9 0.1198 -1.6926 -1.6421 H 1 noname 0.0000 19 H10 0.1853 -0.0675 -2.3655 H 1 noname 0.0000 20 H11 -1.0629 0.7891 -1.4382 H 1 noname 0.0000 21 H12 -0.0666 2.0583 -0.6866 H 1 noname 0.0000 22 H13 2.8393 -2.1428 -1.6597 H 1 noname 0.0000 23 H14 3.8356 -0.8736 -0.9081 H 1 noname 0.0000 24 H15 -2.3251 2.2793 -0.1739 H 1 noname 0.0000 @BOND 1 1 9 1 2 2 8 1 3 2 24 1 4 3 4 1 5 3 5 1 6 3 6 1 7 3 7 1 8 4 8 1 9 4 10 1 10 4 11 1 11 5 9 1 12 5 12 1 13 5 13 1 14 6 14 1 15 6 15 1 16 6 16 1 17 7 17 1 18 7 18 1 19 7 19 1 20 8 20 1 21 8 21 1 22 9 22 1 23 9 23 1 @SUBSTRUCTURE 1 noname 1