@MOLECULE 76965321 25 25 1 SMALL USER_CHARGES @ATOM 1 F1 2.8276 4.4210 0.2164 F 1 noname -0.1661 2 F2 0.7936 5.0649 0.1622 F 1 noname -0.1661 3 F3 1.1603 3.7818 1.8009 F 1 noname -0.1661 4 O1 3.0986 -0.3073 1.2721 O.2 1 noname -0.2926 5 O2 5.7871 4.1537 1.9096 O.2 1 noname -0.2935 6 N1 3.6616 1.4705 2.1688 N.3 1 noname -0.0692 7 N2 0.5871 0.4659 -1.7537 N.2 1 noname -0.2384 8 N3 6.2490 2.4662 3.2803 N.3 1 noname -0.0862 9 C1 1.9375 1.3671 0.1072 C.2 1 noname 0.0559 10 C2 1.3849 2.6666 -0.2356 C.2 1 noname 0.0474 11 C3 2.8814 0.9236 1.1626 C.2 1 noname 0.0311 12 C4 1.5599 3.9635 0.4953 C.3 1 noname 0.4169 13 C5 0.5490 2.7952 -1.3815 C.2 1 noname 0.0219 14 C6 3.9490 2.7824 2.6459 C.3 1 noname 0.0766 15 C7 1.4485 0.2959 -0.7214 C.2 1 noname 0.0455 16 C8 0.1318 1.6785 -2.1101 C.2 1 noname 0.0181 17 C9 5.3726 3.1659 2.5607 C.2 1 noname 0.0397 18 H1 4.1111 0.7986 2.7270 H 1 noname 0.1319 19 H2 0.2087 3.7014 -1.7030 H 1 noname 0.0645 20 H3 3.4064 3.5699 2.1976 H 1 noname 0.0529 21 H4 3.7826 2.7022 3.7201 H 1 noname 0.0529 22 H5 1.7111 -0.6830 -0.5779 H 1 noname 0.0847 23 H6 -0.5253 1.7783 -2.8929 H 1 noname 0.0839 24 H7 5.9313 1.7366 3.8225 H 1 noname 0.1271 25 H8 7.1914 2.6928 3.2711 H 1 noname 0.1271 @BOND 1 1 12 1 2 2 12 1 3 3 12 1 4 4 11 2 5 5 17 2 6 6 11 1 7 6 14 1 8 6 18 1 9 7 15 2 10 7 16 1 11 8 17 1 12 8 24 1 13 8 25 1 14 9 10 2 15 9 11 1 16 9 15 1 17 10 12 1 18 10 13 1 19 13 16 2 20 13 19 1 21 14 17 1 22 14 20 1 23 14 21 1 24 15 22 1 25 16 23 1 @SUBSTRUCTURE 1 noname 1