@MOLECULE 1,1,1-trifluoro-4-phenyl-2-butanone 23 23 0 0 0 SMALL GASTEIGER @ATOM 1 F 2.5398 -1.6154 -0.3448 F 1 UNL1111111111 -0.1997 2 F 3.6382 0.0321 -1.0842 F 1 UNL1111111111 -0.1828 3 F 3.6432 -0.4065 0.9919 F 1 UNL1111111111 -0.1828 4 O 1.9222 1.7552 0.3693 O.2 1 UNL1111111111 -0.3310 5 C -0.7846 1.0949 0.2550 C.3 1 UNL1111111111 -0.2666 6 C 0.2913 0.0285 0.0049 C.3 1 UNL1111111111 -0.3567 7 C -2.1431 0.4793 0.1133 C.ar 1 UNL1111111111 0.0036 8 C 1.6515 0.6168 0.1282 C.2 1 UNL1111111111 0.4061 9 C -2.7906 0.4935 -1.1231 C.ar 1 UNL1111111111 -0.1749 10 C -2.7570 -0.1194 1.2152 C.ar 1 UNL1111111111 -0.1753 11 C 2.8603 -0.3530 -0.0793 C.3 1 UNL1111111111 0.4188 12 C -4.0481 -0.0925 -1.2547 C.ar 1 UNL1111111111 -0.1368 13 C -4.0139 -0.7040 1.0794 C.ar 1 UNL1111111111 -0.1368 14 C -4.6603 -0.6918 -0.1553 C.ar 1 UNL1111111111 -0.1575 15 H -0.6534 1.5454 1.2621 H 1 UNL1111111111 0.1644 16 H -0.6545 1.9453 -0.4482 H 1 UNL1111111111 0.1647 17 H 0.1454 -0.4262 -1.0024 H 1 UNL1111111111 0.1911 18 H 0.1559 -0.8171 0.7187 H 1 UNL1111111111 0.1907 19 H -2.3179 0.9617 -1.9841 H 1 UNL1111111111 0.1537 20 H -2.2564 -0.1283 2.1812 H 1 UNL1111111111 0.1535 21 H -4.5539 -0.0816 -2.2186 H 1 UNL1111111111 0.1509 22 H -4.4923 -1.1701 1.9392 H 1 UNL1111111111 0.1510 23 H -5.6424 -1.1483 -0.2605 H 1 UNL1111111111 0.1525 @BOND 1 1 11 1 2 2 11 1 3 3 11 1 4 4 8 2 5 5 6 1 6 5 7 1 7 5 15 1 8 5 16 1 9 6 8 1 10 6 17 1 11 6 18 1 12 7 9 ar 13 7 10 ar 14 8 11 1 15 9 12 ar 16 9 19 1 17 10 13 ar 18 10 20 1 19 12 14 ar 20 12 21 1 21 13 14 ar 22 13 22 1 23 14 23 1