@MOLECULE 4,4,4-trifluoro-1-(4-methoxyphenyl)-1,3-butanedione 26 26 0 0 0 SMALL GASTEIGER @ATOM 1 C 5.8223 1.6471 0.0438 C.3 1 UNL111111111 -0.2054 2 O -0.3925 -2.1609 -0.2509 O.2 1 UNL111111111 -0.4015 3 O -2.8883 -1.5759 0.3708 O.2 1 UNL111111111 -0.2647 4 F -4.5366 0.5436 1.0051 F 1 UNL111111111 -0.1838 5 F -4.4005 0.4311 -1.1109 F 1 UNL111111111 -0.1856 6 F -3.2803 1.8740 -0.0449 F 1 UNL111111111 -0.2099 7 C 3.0416 1.1329 -0.0146 C.ar 1 UNL111111111 -0.3308 8 C 3.6414 -1.2394 0.0326 C.ar 1 UNL111111111 -0.2811 9 C 1.6974 0.7772 -0.0508 C.ar 1 UNL111111111 -0.0262 10 C 2.2982 -1.5678 -0.0078 C.ar 1 UNL111111111 -0.0054 11 C -1.1598 0.0765 -0.0107 C.3 1 UNL111111111 -0.4796 12 O 5.3424 0.3081 0.0666 O.3 1 UNL111111111 -0.3037 13 C -0.0922 -1.0042 -0.1082 C.2 1 UNL111111111 0.4876 14 C -2.5391 -0.4637 0.1331 C.2 1 UNL111111111 0.4078 15 C 4.0038 0.1205 0.0278 C.ar 1 UNL111111111 0.2965 16 C 1.3149 -0.5646 -0.0484 C.ar 1 UNL111111111 -0.2537 17 C -3.6817 0.6061 -0.0070 C.3 1 UNL111111111 0.4143 18 H 5.5404 2.1483 -0.8875 H 1 UNL111111111 0.1380 19 H 5.4773 2.2019 0.9210 H 1 UNL111111111 0.1375 20 H 6.9113 1.4999 0.0868 H 1 UNL111111111 0.1609 21 H 3.3253 2.1796 -0.0222 H 1 UNL111111111 0.1676 22 H 4.4146 -2.0038 0.0643 H 1 UNL111111111 0.1818 23 H 0.9505 1.5716 -0.0876 H 1 UNL111111111 0.1491 24 H 1.9889 -2.6204 -0.0103 H 1 UNL111111111 0.1785 25 H -0.9323 0.7427 0.8560 H 1 UNL111111111 0.2060 26 H -1.0782 0.7214 -0.9188 H 1 UNL111111111 0.2059 @BOND 1 1 12 1 2 1 18 1 3 1 19 1 4 1 20 1 5 2 13 2 6 3 14 2 7 4 17 1 8 7 9 ar 9 7 21 1 10 8 10 ar 11 8 15 ar 12 8 22 1 13 9 23 1 14 10 16 ar 15 10 24 1 16 11 25 1 17 11 26 1 18 12 15 1 19 13 11 1 20 14 11 1 21 14 17 1 22 15 7 ar 23 16 9 ar 24 16 13 1 25 17 5 1 26 17 6 1