@MOLECULE 1-benzoyl-3,3,3-trifluoroacetone 22 22 0 0 0 SMALL GASTEIGER @ATOM 1 F 2.7402 -1.6603 -0.2340 F 1 UNL111111111 0.0185 2 F 3.4978 -0.4246 1.3026 F 1 UNL111111111 0.0596 3 F 3.8928 0.0401 -0.7315 F 1 UNL111111111 0.0220 4 O -0.6495 1.9259 -0.7333 O.2 1 UNL111111111 -0.2736 5 O 1.8500 1.6701 0.3888 O.2 1 UNL111111111 -0.1544 6 C 0.4206 -0.1548 -0.3225 C.3 1 UNL111111111 -0.3916 7 C -2.1127 0.1777 -0.1553 C.ar 1 UNL111111111 0.0825 8 C -0.7794 0.7722 -0.4217 C.2 1 UNL111111111 0.1242 9 C 1.6801 0.5356 0.0715 C.2 1 UNL111111111 0.3884 10 C -2.3992 -1.1581 -0.4414 C.ar 1 UNL111111111 -0.2036 11 C -3.1098 1.0100 0.3589 C.ar 1 UNL111111111 -0.2681 12 C 2.9484 -0.3881 0.0950 C.3 1 UNL111111111 -0.3922 13 C -3.6736 -1.6642 -0.1940 C.ar 1 UNL111111111 -0.1956 14 C -4.3833 0.5009 0.6083 C.ar 1 UNL111111111 -0.1560 15 C -4.6624 -0.8372 0.3369 C.ar 1 UNL111111111 -0.1479 16 H 0.2063 -0.9830 0.3931 H 1 UNL111111111 0.2571 17 H 0.5411 -0.6477 -1.3200 H 1 UNL111111111 0.2474 18 H -1.6410 -1.8092 -0.8738 H 1 UNL111111111 0.1699 19 H -2.8894 2.0626 0.5555 H 1 UNL111111111 0.2293 20 H -3.8992 -2.7065 -0.4190 H 1 UNL111111111 0.2087 21 H -5.1600 1.1509 1.0101 H 1 UNL111111111 0.1821 22 H -5.6575 -1.2368 0.5335 H 1 UNL111111111 0.1934 @BOND 1 1 12 1 2 2 12 1 3 3 12 1 4 4 8 2 5 5 9 2 6 6 8 1 7 6 9 1 8 6 16 1 9 6 17 1 10 7 8 1 11 7 10 ar 12 7 11 ar 13 9 12 1 14 10 13 ar 15 10 18 1 16 11 14 ar 17 11 19 1 18 13 15 ar 19 13 20 1 20 14 15 ar 21 14 21 1 22 15 22 1