@MOLECULE n-sec-butyl-1-[2-(~18~f)fluoro-5-nitrophenyl]-n-methyl-3-isoquinolinecarboxamide 48 50 0 0 0 SMALL GASTEIGER @ATOM 1 F -1.4717 -0.6630 2.6184 F 1 UNL11111111111 -0.1477 2 O 3.5931 -0.1434 -1.7578 O.2 1 UNL11111111111 -0.5229 3 O -3.7395 2.3825 -2.2682 O.2 1 UNL11111111111 -0.3852 4 O -4.9633 3.2071 -0.7011 O.2 1 UNL11111111111 -0.4050 5 N 3.6116 0.5775 0.3914 N.am 1 UNL11111111111 -0.4598 6 N 0.6629 -0.1325 -0.1237 N.ar 1 UNL11111111111 -0.3573 7 N -4.0767 2.4688 -1.1002 N.pl3 1 UNL11111111111 0.6284 8 C 4.6920 1.5431 0.0965 C.3 1 UNL11111111111 0.1096 9 C 4.1713 2.9981 0.0456 C.3 1 UNL11111111111 -0.2958 10 C 5.8105 1.4082 1.1416 C.3 1 UNL11111111111 -0.4752 11 C 3.0405 -0.0830 -0.6751 C.2 1 UNL11111111111 0.5742 12 C 1.7707 -0.8637 -0.4582 C.ar 1 UNL11111111111 0.0600 13 C -0.6458 -2.1748 -0.1780 C.ar 1 UNL11111111111 -0.0827 14 C 2.8542 0.7674 1.6321 C.3 1 UNL11111111111 -0.2317 15 C 3.1425 3.1822 -1.0670 C.3 1 UNL11111111111 -0.4409 16 C 0.5096 -2.9116 -0.5238 C.ar 1 UNL11111111111 0.0372 17 C -0.4928 -0.7619 0.0168 C.ar 1 UNL11111111111 0.1861 18 C 1.7449 -2.2235 -0.6652 C.ar 1 UNL11111111111 -0.1764 19 C -1.6464 0.0689 0.4044 C.ar 1 UNL11111111111 -0.1130 20 C -1.8892 -2.8444 -0.0467 C.ar 1 UNL11111111111 -0.1302 21 C 0.4037 -4.3143 -0.7283 C.ar 1 UNL11111111111 -0.1587 22 C -2.2946 0.8705 -0.5317 C.ar 1 UNL11111111111 -0.0193 23 C -1.9672 -4.1989 -0.2479 C.ar 1 UNL11111111111 -0.1443 24 C -0.8086 -4.9403 -0.5920 C.ar 1 UNL11111111111 -0.1167 25 C -2.0988 0.0847 1.7295 C.ar 1 UNL11111111111 0.2492 26 C -3.3883 1.6399 -0.1221 C.ar 1 UNL11111111111 -0.1176 27 C -3.1855 0.8544 2.1466 C.ar 1 UNL11111111111 -0.2410 28 C -3.8376 1.6399 1.2036 C.ar 1 UNL11111111111 -0.0395 29 H 5.1157 1.2759 -0.9158 H 1 UNL11111111111 0.1714 30 H 5.0298 3.6771 -0.1175 H 1 UNL11111111111 0.1408 31 H 3.7358 3.2891 1.0183 H 1 UNL11111111111 0.1384 32 H 5.5274 1.8182 2.1151 H 1 UNL11111111111 0.1449 33 H 6.7133 1.9326 0.8102 H 1 UNL11111111111 0.1497 34 H 6.0783 0.3543 1.2921 H 1 UNL11111111111 0.1611 35 H 3.5010 1.1864 2.4199 H 1 UNL11111111111 0.1477 36 H 2.4723 -0.2026 1.9968 H 1 UNL11111111111 0.1489 37 H 1.9919 1.4460 1.4902 H 1 UNL11111111111 0.1544 38 H 3.5186 2.8111 -2.0300 H 1 UNL11111111111 0.1573 39 H 2.8741 4.2352 -1.1965 H 1 UNL11111111111 0.1405 40 H 2.2168 2.6287 -0.8567 H 1 UNL11111111111 0.1565 41 H 2.6463 -2.7678 -0.9491 H 1 UNL11111111111 0.1866 42 H -2.7770 -2.2684 0.2123 H 1 UNL11111111111 0.1577 43 H 1.2991 -4.8745 -0.9967 H 1 UNL11111111111 0.1648 44 H -1.9465 0.9007 -1.5742 H 1 UNL11111111111 0.2055 45 H -2.9170 -4.7236 -0.1492 H 1 UNL11111111111 0.1588 46 H -0.9017 -6.0153 -0.7479 H 1 UNL11111111111 0.1567 47 H -3.5127 0.8456 3.1866 H 1 UNL11111111111 0.1859 48 H -4.6956 2.2580 1.4932 H 1 UNL11111111111 0.1884 @BOND 1 1 25 1 2 2 11 2 3 3 7 2 4 4 7 2 5 5 8 1 6 5 11 am 7 5 14 1 8 6 12 ar 9 6 17 ar 10 7 26 1 11 8 9 1 12 8 10 1 13 8 29 1 14 9 15 1 15 9 30 1 16 9 31 1 17 10 32 1 18 10 33 1 19 10 34 1 20 11 12 1 21 12 18 ar 22 13 16 ar 23 13 17 ar 24 13 20 ar 25 14 35 1 26 14 36 1 27 14 37 1 28 15 38 1 29 15 39 1 30 15 40 1 31 16 18 ar 32 16 21 ar 33 17 19 1 34 18 41 1 35 19 22 ar 36 19 25 ar 37 20 23 ar 38 20 42 1 39 21 24 ar 40 21 43 1 41 22 26 ar 42 22 44 1 43 23 24 ar 44 23 45 1 45 24 46 1 46 25 27 ar 47 26 28 ar 48 27 28 ar 49 27 47 1 50 28 48 1