@MOLECULE triflusal 24 24 0 0 0 SMALL GASTEIGER @ATOM 1 F -4.0488 -0.7327 -0.1886 F 1 UNL1111111111 -0.1963 2 F -3.5303 0.8262 1.1251 F 1 UNL1111111111 -0.1954 3 F -3.4028 1.1146 -0.9634 F 1 UNL1111111111 -0.1924 4 O 1.5163 1.3072 0.5837 O.3 1 UNL1111111111 -0.4362 5 O 2.5551 -2.7143 -0.0360 O.3 1 UNL1111111111 -0.5478 6 O 3.3453 -0.6805 0.3921 O.2 1 UNL1111111111 -0.5218 7 O 2.5069 1.1880 -1.4363 O.2 1 UNL1111111111 -0.4607 8 C -1.7062 -0.2217 0.0231 C.ar 1 UNL1111111111 -0.0381 9 C 0.6083 0.3461 0.2659 C.ar 1 UNL1111111111 0.3223 10 C 0.9756 -0.9950 0.0929 C.ar 1 UNL1111111111 -0.2062 11 C -0.7327 0.7470 0.2364 C.ar 1 UNL1111111111 -0.2001 12 C -1.3645 -1.5609 -0.1687 C.ar 1 UNL1111111111 -0.1717 13 C -0.0260 -1.9434 -0.1333 C.ar 1 UNL1111111111 -0.0340 14 C -3.1454 0.2274 -0.0024 C.3 1 UNL1111111111 0.5352 15 C 2.3892 -1.3824 0.1670 C.2 1 UNL1111111111 0.6707 16 C 2.5604 1.5705 -0.3058 C.2 1 UNL1111111111 0.6681 17 C 3.5684 2.3924 0.4008 C.3 1 UNL1111111111 -0.5011 18 H -0.9768 1.8014 0.3796 H 1 UNL1111111111 0.1944 19 H -2.1262 -2.3214 -0.3482 H 1 UNL1111111111 0.1799 20 H 0.2462 -2.9945 -0.2815 H 1 UNL1111111111 0.1838 21 H 3.1434 2.9748 1.2342 H 1 UNL1111111111 0.1901 22 H 4.0722 3.0865 -0.2906 H 1 UNL1111111111 0.1878 23 H 4.3440 1.7296 0.8358 H 1 UNL1111111111 0.2071 24 H 3.5059 -2.9961 -0.0038 H 1 UNL1111111111 0.3625 @BOND 1 1 14 1 2 2 14 1 3 3 14 1 4 4 9 1 5 4 16 1 6 5 15 1 7 5 24 1 8 6 15 2 9 7 16 2 10 8 11 ar 11 8 12 ar 12 8 14 1 13 9 10 ar 14 9 11 ar 15 10 13 ar 16 10 15 1 17 11 18 1 18 12 13 ar 19 12 19 1 20 13 20 1 21 16 17 1 22 17 21 1 23 17 22 1 24 17 23 1