@MOLECULE 2,2,2-trifluoro-1-(6-hydroxy-3,4-dihydro-2(1h)-isoquinolinyl)ethanone 27 28 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.3440 -1.5729 -0.9015 O.2 1 UNL1111111111 -0.4358 2 O 4.8675 0.6197 -0.9440 O.3 1 UNL1111111111 -0.4646 3 F -3.6197 0.6567 -1.1405 F 1 UNL1111111111 -0.1619 4 F -1.8068 1.6450 -0.7041 F 1 UNL1111111111 -0.1898 5 F -3.1500 1.1373 0.8606 F 1 UNL1111111111 -0.1902 6 C 3.1399 1.5030 0.3412 C.ar 1 UNL1111111111 -0.2528 7 C 1.8886 1.3697 0.9229 C.ar 1 UNL1111111111 -0.0764 8 C 2.9230 -0.7568 -0.5770 C.ar 1 UNL1111111111 -0.3482 9 C 0.8849 -2.1314 -0.1935 C.3 1 UNL1111111111 -0.3292 10 C -0.3173 -2.2480 0.7597 C.3 1 UNL1111111111 -0.0714 11 C -0.1854 0.0812 1.4555 C.3 1 UNL1111111111 -0.0718 12 C -1.9391 -0.7116 -0.1576 C.2 1 UNL1111111111 0.4927 13 C 3.6385 0.4268 -0.4040 C.ar 1 UNL1111111111 0.3096 14 C 1.1517 0.1902 0.7707 C.ar 1 UNL1111111111 -0.1523 15 C 1.6657 -0.8718 0.0213 C.ar 1 UNL1111111111 0.0992 16 N -1.0336 -0.9581 0.8522 N.am 1 UNL1111111111 -0.4312 17 C -2.6181 0.6847 -0.2706 C.3 1 UNL1111111111 0.4484 18 H 5.1699 -0.1556 -1.4769 H 1 UNL1111111111 0.3287 19 H 3.7296 2.4104 0.4456 H 1 UNL1111111111 0.1811 20 H 1.4757 2.1968 1.5029 H 1 UNL1111111111 0.1571 21 H 3.3303 -1.5713 -1.1653 H 1 UNL1111111111 0.1661 22 H 1.5342 -3.0233 -0.0828 H 1 UNL1111111111 0.1631 23 H 0.5252 -2.1577 -1.2490 H 1 UNL1111111111 0.1801 24 H -1.0185 -3.0441 0.4147 H 1 UNL1111111111 0.1711 25 H 0.0141 -2.5315 1.7836 H 1 UNL1111111111 0.1508 26 H -0.0300 -0.2045 2.5301 H 1 UNL1111111111 0.1647 27 H -0.7002 1.0638 1.4942 H 1 UNL1111111111 0.1628 @BOND 1 1 12 2 2 2 13 1 3 2 18 1 4 3 17 1 5 4 17 1 6 5 17 1 7 6 7 ar 8 6 13 ar 9 6 19 1 10 7 14 ar 11 7 20 1 12 8 13 ar 13 8 15 ar 14 8 21 1 15 9 10 1 16 9 15 1 17 9 22 1 18 9 23 1 19 10 16 1 20 10 24 1 21 10 25 1 22 11 14 1 23 11 16 1 24 11 26 1 25 11 27 1 26 12 16 am 27 12 17 1 28 14 15 ar