@MOLECULE (2e)-1,1,1-trifluoro-4-oxo-4-phenyl-2-buten-2-yl acetate 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 F 1.6853 -2.2688 -0.7828 F 1 UNL11111111 0.0617 2 F 1.1783 -1.8941 1.2523 F 1 UNL11111111 0.0360 3 F 3.1216 -1.4754 0.5470 F 1 UNL11111111 0.0026 4 O 2.5186 0.7616 -0.2615 O.3 1 UNL11111111 -0.1383 5 O -0.7599 -1.7669 -0.3580 O.2 1 UNL11111111 -0.3154 6 O 1.5129 2.7670 0.0569 O.2 1 UNL11111111 -0.3431 7 C -2.3531 -0.0551 -0.1087 C.ar 1 UNL11111111 -0.0601 8 C -0.9814 -0.5791 -0.2830 C.2 1 UNL11111111 0.4389 9 C 1.3924 0.0147 -0.1588 C.2 1 UNL11111111 0.2735 10 C 0.1313 0.3927 -0.3804 C.2 1 UNL11111111 -0.5751 11 C -2.5948 1.1618 0.5304 C.ar 1 UNL11111111 -0.1728 12 C -3.4183 -0.8296 -0.5746 C.ar 1 UNL11111111 -0.2377 13 C 1.8353 -1.3989 0.2084 C.3 1 UNL11111111 -0.2408 14 C -3.9035 1.6107 0.6878 C.ar 1 UNL11111111 -0.1978 15 C -4.7256 -0.3742 -0.4211 C.ar 1 UNL11111111 -0.1365 16 C -4.9669 0.8463 0.2077 C.ar 1 UNL11111111 -0.1686 17 C 2.5105 2.1434 -0.1482 C.2 1 UNL11111111 0.5086 18 C 3.9112 2.6007 -0.3187 C.3 1 UNL11111111 -0.9695 19 H -0.1370 1.4149 -0.6575 H 1 UNL11111111 0.3006 20 H -1.7673 1.7594 0.9155 H 1 UNL11111111 0.2131 21 H -3.2188 -1.7928 -1.0514 H 1 UNL11111111 0.2190 22 H -4.0963 2.5585 1.1862 H 1 UNL11111111 0.1855 23 H -5.5580 -0.9716 -0.7879 H 1 UNL11111111 0.1744 24 H -5.9890 1.2024 0.3276 H 1 UNL11111111 0.1834 25 H 4.6501 1.7898 -0.1829 H 1 UNL11111111 0.3412 26 H 4.1546 3.3994 0.4024 H 1 UNL11111111 0.3101 27 H 4.0690 3.0113 -1.3313 H 1 UNL11111111 0.3068 @BOND 1 1 13 1 2 2 13 1 3 3 13 1 4 4 9 1 5 4 17 1 6 5 8 2 7 6 17 2 8 7 8 1 9 7 11 ar 10 7 12 ar 11 8 10 1 12 9 10 2 13 9 13 1 14 10 19 1 15 11 14 ar 16 11 20 1 17 12 15 ar 18 12 21 1 19 14 16 ar 20 14 22 1 21 15 16 ar 22 15 23 1 23 16 24 1 24 17 18 1 25 18 25 1 26 18 26 1 27 18 27 1