@MOLECULE 95436262 27 27 1 SMALL USER_CHARGES @ATOM 1 F1 1.6694 -0.6276 4.3406 F 1 noname -0.1655 2 O1 -2.2870 -0.7892 -0.3801 O.3 1 noname -0.3867 3 N1 -0.9690 -1.5177 -2.7848 N.3 1 noname -0.3144 4 C1 -0.2889 -1.5505 -1.4911 C.3 1 noname 0.0340 5 C2 -0.9080 -0.5036 -0.5628 C.3 1 noname 0.0941 6 C3 -0.2289 -0.5362 0.7292 C.2 1 noname -0.0444 7 C4 1.1968 -1.2426 -1.6879 C.3 1 noname -0.0469 8 C5 -0.2329 -1.7014 1.4872 C.2 1 noname -0.0322 9 C6 0.4216 0.5978 1.2013 C.2 1 noname -0.0322 10 C7 -0.3774 -2.5181 -3.6718 C.3 1 noname -0.0160 11 C8 0.4137 -1.7325 2.7172 C.2 1 noname -0.0049 12 C9 1.0682 0.5667 2.4313 C.2 1 noname -0.0049 13 C10 1.0642 -0.5985 3.1893 C.2 1 noname 0.0234 14 H1 -0.3993 -2.5400 -1.0475 H 1 noname 0.0492 15 H2 -0.7977 0.4860 -1.0064 H 1 noname 0.0668 16 H3 1.7038 -1.2670 -0.7233 H 1 noname 0.0247 17 H4 1.3072 -0.2531 -2.1315 H 1 noname 0.0247 18 H5 1.6378 -1.9885 -2.3492 H 1 noname 0.0247 19 H6 -1.9614 -1.7233 -2.6533 H 1 noname 0.1222 20 H7 -0.7103 -2.5335 1.1407 H 1 noname 0.0627 21 H8 0.4246 1.4528 0.6451 H 1 noname 0.0627 22 H9 -2.6835 -0.1187 0.2144 H 1 noname 0.2109 23 H10 -0.8845 -2.4937 -4.6364 H 1 noname 0.0391 24 H11 -0.4878 -3.5076 -3.2282 H 1 noname 0.0391 25 H12 0.6810 -2.2988 -3.8121 H 1 noname 0.0391 26 H13 0.4108 -2.5875 3.2734 H 1 noname 0.0653 27 H14 1.5456 1.3988 2.7778 H 1 noname 0.0653 @BOND 1 1 13 1 2 5 2 1 3 2 22 1 4 4 3 1 5 3 10 1 6 3 19 1 7 4 5 1 8 4 7 1 9 4 14 1 10 5 6 1 11 5 15 1 12 6 8 2 13 6 9 1 14 7 16 1 15 7 17 1 16 7 18 1 17 8 11 1 18 8 20 1 19 9 12 2 20 9 21 1 21 10 23 1 22 10 24 1 23 10 25 1 24 11 13 2 25 11 26 1 26 12 13 1 27 12 27 1 @SUBSTRUCTURE 1 noname 1