@MOLECULE 1,1,1-trifluoro-a-2-quinolylmethanesulfon-m-anisidide 39 41 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.6508 0.1088 -0.4677 S.O2 1 UNL111111111 2.3116 2 F -3.1576 2.3581 -0.8105 F 1 UNL111111111 -0.2092 3 F -4.5561 2.5211 0.7635 F 1 UNL111111111 -0.1889 4 F -2.7704 1.4293 1.0393 F 1 UNL111111111 -0.1998 5 O 1.0980 -1.1969 0.5678 O.3 1 UNL111111111 -0.2978 6 O -5.4907 0.5926 -1.5150 O.2 1 UNL111111111 -0.8214 7 O -5.1037 -0.5517 0.7091 O.2 1 UNL111111111 -0.8038 8 N -3.4049 -0.7894 -1.2127 N.pl3 1 UNL111111111 -0.8746 9 N 3.7778 -0.2658 -0.7171 N.ar 1 UNL111111111 -0.3727 10 C 2.9145 0.2256 0.1549 C.ar 1 UNL111111111 0.1774 11 C -2.4279 -1.4795 -0.4346 C.ar 1 UNL111111111 0.2539 12 C 5.5836 0.8180 0.5130 C.ar 1 UNL111111111 -0.0835 13 C 1.4605 -0.0178 -0.1624 C.3 1 UNL111111111 -0.0691 14 C 5.1141 0.0094 -0.5541 C.ar 1 UNL111111111 0.1512 15 C -0.1786 -1.6224 0.3838 C.ar 1 UNL111111111 0.2778 16 C -1.1219 -0.9715 -0.4067 C.ar 1 UNL111111111 -0.3685 17 C 3.2992 1.0199 1.2760 C.ar 1 UNL111111111 -0.2268 18 C 4.6262 1.3282 1.4328 C.ar 1 UNL111111111 -0.0891 19 C -2.7734 -2.6280 0.2752 C.ar 1 UNL111111111 -0.2441 20 C -0.4962 -2.7934 1.0953 C.ar 1 UNL111111111 -0.2595 21 C 6.9780 1.0642 0.6200 C.ar 1 UNL111111111 -0.1378 22 C -1.7920 -3.2824 1.0274 C.ar 1 UNL111111111 -0.0602 23 C 6.0314 -0.5263 -1.5054 C.ar 1 UNL111111111 -0.1450 24 C -3.7429 1.6619 0.1613 C.3 1 UNL111111111 0.2423 25 C 7.8492 0.5253 -0.2926 C.ar 1 UNL111111111 -0.1477 26 C 7.3700 -0.2703 -1.3659 C.ar 1 UNL111111111 -0.1327 27 H 1.3174 -0.2026 -1.2487 H 1 UNL111111111 0.1610 28 H 0.8291 0.8239 0.1739 H 1 UNL111111111 0.1435 29 H -0.8752 -0.0875 -0.9828 H 1 UNL111111111 0.1741 30 H -3.1663 -0.6135 -2.1843 H 1 UNL111111111 0.3392 31 H 2.5405 1.3684 1.9746 H 1 UNL111111111 0.1767 32 H 4.9663 1.9525 2.2596 H 1 UNL111111111 0.1629 33 H -3.7930 -3.0096 0.2541 H 1 UNL111111111 0.1793 34 H 0.2715 -3.2883 1.6881 H 1 UNL111111111 0.1789 35 H 7.3384 1.6824 1.4411 H 1 UNL111111111 0.1573 36 H -2.0584 -4.1894 1.5730 H 1 UNL111111111 0.1532 37 H 5.6331 -1.1306 -2.3219 H 1 UNL111111111 0.1775 38 H 8.9221 0.6984 -0.2077 H 1 UNL111111111 0.1570 39 H 8.0892 -0.6733 -2.0791 H 1 UNL111111111 0.1575 @BOND 1 1 6 2 2 1 7 2 3 1 8 1 4 1 24 1 5 2 24 1 6 3 24 1 7 4 24 1 8 5 13 1 9 5 15 1 10 8 11 1 11 8 30 1 12 9 10 ar 13 9 14 ar 14 10 13 1 15 10 17 ar 16 11 16 ar 17 11 19 ar 18 12 14 ar 19 12 18 ar 20 12 21 ar 21 13 27 1 22 13 28 1 23 14 23 ar 24 15 16 ar 25 15 20 ar 26 16 29 1 27 17 18 ar 28 17 31 1 29 18 32 1 30 19 22 ar 31 19 33 1 32 20 22 ar 33 20 34 1 34 21 25 ar 35 21 35 1 36 22 36 1 37 23 26 ar 38 23 37 1 39 25 26 ar 40 25 38 1 41 26 39 1