@MOLECULE 3-(trifluoromethyl)-1,2-benzenediol 17 17 0 0 0 SMALL GASTEIGER @ATOM 1 F -2.5541 -1.0127 0.0212 F 1 UNL1111111111 -0.1877 2 F -2.0455 0.7520 1.0442 F 1 UNL1111111111 -0.2074 3 F -2.0635 0.7191 -1.0619 F 1 UNL1111111111 -0.2125 4 O 0.5841 1.9341 0.0130 O.3 1 UNL1111111111 -0.4818 5 O 3.1285 1.1109 -0.0034 O.3 1 UNL1111111111 -0.4395 6 C -0.2436 -0.3779 -0.0052 C.ar 1 UNL1111111111 -0.2321 7 C 0.7541 0.5920 -0.0048 C.ar 1 UNL1111111111 0.2125 8 C 0.1252 -1.7324 -0.0016 C.ar 1 UNL1111111111 -0.0996 9 C 2.1184 0.2083 -0.0020 C.ar 1 UNL1111111111 0.1889 10 C -1.6895 -0.0016 0.0005 C.3 1 UNL1111111111 0.5600 11 C 1.4636 -2.1008 0.0021 C.ar 1 UNL1111111111 -0.1565 12 C 2.4730 -1.1334 0.0020 C.ar 1 UNL1111111111 -0.1608 13 H -0.6340 -2.5164 -0.0021 H 1 UNL1111111111 0.1714 14 H 1.7365 -3.1561 0.0050 H 1 UNL1111111111 0.1637 15 H 3.5257 -1.4159 0.0042 H 1 UNL1111111111 0.1794 16 H -0.3447 2.2409 -0.1066 H 1 UNL1111111111 0.3572 17 H 2.7781 2.0431 -0.0140 H 1 UNL1111111111 0.3449 @BOND 1 1 10 1 2 2 10 1 3 3 10 1 4 4 7 1 5 4 16 1 6 5 9 1 7 5 17 1 8 6 7 ar 9 6 8 ar 10 6 10 1 11 7 9 ar 12 8 11 ar 13 8 13 1 14 9 12 ar 15 11 12 ar 16 11 14 1 17 12 15 1