@MOLECULE 2-[(trifluoromethyl)sulfonyl]-1,2,3,4-tetrahydro-6-isoquinolinol 28 29 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.5819 -0.6934 -0.6800 C.ar 1 UNL1111111111 0.0981 2 C 1.3102 -0.9047 0.6733 C.ar 1 UNL1111111111 -0.1547 3 C 2.7533 -0.0317 -1.0592 C.ar 1 UNL1111111111 -0.3503 4 C 0.6351 -1.1291 -1.7542 C.3 1 UNL1111111111 -0.3410 5 C 2.2063 -0.4616 1.6526 C.ar 1 UNL1111111111 -0.0791 6 C 0.0679 -1.6329 1.1054 C.3 1 UNL1111111111 -0.0672 7 C 3.3753 0.1935 1.2990 C.ar 1 UNL1111111111 -0.2535 8 C 3.6273 0.4000 -0.0637 C.ar 1 UNL1111111111 0.3073 9 C -0.5367 -1.9841 -1.2327 C.3 1 UNL1111111111 -0.0646 10 C -1.5049 1.3098 -0.1046 C.3 1 UNL1111111111 0.2404 11 F -1.4462 1.6069 -1.4002 F 1 UNL1111111111 -0.2071 12 F -0.2670 1.5002 0.3426 F 1 UNL1111111111 -0.2050 13 F -2.2153 2.2924 0.4379 F 1 UNL1111111111 -0.1877 14 N -1.0056 -1.5967 0.1020 N.3 1 UNL1111111111 -0.7119 15 O 4.7853 1.0486 -0.3428 O.3 1 UNL1111111111 -0.4619 16 O -2.6000 -0.3276 1.6345 O.2 1 UNL1111111111 -0.8196 17 O -3.1618 -0.6016 -0.8249 O.2 1 UNL1111111111 -0.8252 18 S -2.2427 -0.4093 0.2532 S.O2 1 UNL1111111111 2.2698 19 H 2.9723 0.1467 -2.1058 H 1 UNL1111111111 0.1647 20 H 0.2567 -0.2361 -2.2970 H 1 UNL1111111111 0.1721 21 H 1.1837 -1.7086 -2.5279 H 1 UNL1111111111 0.1627 22 H 1.9821 -0.6273 2.7075 H 1 UNL1111111111 0.1558 23 H 0.3179 -2.7131 1.2819 H 1 UNL1111111111 0.1592 24 H -0.3064 -1.2572 2.0902 H 1 UNL1111111111 0.1709 25 H 4.0839 0.5512 2.0421 H 1 UNL1111111111 0.1825 26 H -1.3838 -1.9704 -1.9601 H 1 UNL1111111111 0.1658 27 H -0.2149 -3.0533 -1.1658 H 1 UNL1111111111 0.1510 28 H 4.9056 1.2026 -1.3119 H 1 UNL1111111111 0.3284 @BOND 1 1 2 ar 2 1 3 ar 3 1 4 1 4 2 5 ar 5 2 6 1 6 3 8 ar 7 3 19 1 8 4 9 1 9 4 20 1 10 4 21 1 11 5 7 ar 12 5 22 1 13 6 14 1 14 6 23 1 15 6 24 1 16 7 8 ar 17 7 25 1 18 8 15 1 19 9 14 1 20 9 26 1 21 9 27 1 22 10 11 1 23 10 12 1 24 10 13 1 25 10 18 1 26 14 18 1 27 15 28 1 28 16 18 2 29 17 18 2