@MOLECULE n-{[4-(pentyloxy)-3-(trifluoromethyl)phenyl]carbamothioyl}nicotinamide 48 49 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.7661 0.0643 2.3301 S.2 1 UNL1111111111 -0.4671 2 F 1.9477 3.3593 -0.0577 F 1 UNL1111111111 -0.2032 3 F 3.4234 2.2764 0.9886 F 1 UNL1111111111 -0.1955 4 F 3.4775 2.3725 -1.1165 F 1 UNL1111111111 -0.2037 5 O 3.8680 -0.0714 -0.1929 O.3 1 UNL1111111111 -0.3104 6 O -3.9537 -0.5588 -1.5783 O.2 1 UNL1111111111 -0.5126 7 N -1.6557 -0.2890 -0.3334 N.am 1 UNL1111111111 -0.4689 8 N -3.8011 -0.2039 0.6679 N.am 1 UNL1111111111 -0.5958 9 N -8.0033 -1.0359 0.7768 N.ar 1 UNL1111111111 -0.3675 10 C 6.1092 -0.6405 -0.1286 C.3 1 UNL1111111111 -0.2973 11 C 7.1557 -1.7574 -0.1405 C.3 1 UNL1111111111 -0.2686 12 C 4.7043 -1.2396 -0.1786 C.3 1 UNL1111111111 -0.0407 13 C 8.5713 -1.1655 -0.0998 C.3 1 UNL1111111111 -0.2463 14 C 2.5359 -0.2490 -0.2157 C.ar 1 UNL1111111111 0.3154 15 C 1.8279 0.9710 -0.1700 C.ar 1 UNL1111111111 -0.2490 16 C 9.6242 -2.2731 -0.1011 C.3 1 UNL1111111111 -0.4414 17 C 0.4409 0.9620 -0.1896 C.ar 1 UNL1111111111 -0.0104 18 C 1.8641 -1.4744 -0.2832 C.ar 1 UNL1111111111 -0.3070 19 C -0.2260 -0.2663 -0.2689 C.ar 1 UNL1111111111 0.0485 20 C 0.4760 -1.4779 -0.3035 C.ar 1 UNL1111111111 -0.0396 21 C 2.6406 2.2216 -0.0888 C.3 1 UNL1111111111 0.5771 22 C -2.3954 -0.1564 0.7934 C.2 1 UNL1111111111 0.4905 23 C -4.5220 -0.4104 -0.5155 C.2 1 UNL1111111111 0.6066 24 C -5.9936 -0.4127 -0.3861 C.ar 1 UNL1111111111 -0.2515 25 C -6.7471 0.2006 -1.3921 C.ar 1 UNL1111111111 -0.0073 26 C -6.6633 -1.0375 0.6773 C.ar 1 UNL1111111111 0.0932 27 C -8.1346 0.1998 -1.2903 C.ar 1 UNL1111111111 -0.2552 28 C -8.7250 -0.4255 -0.1826 C.ar 1 UNL1111111111 0.0939 29 H 6.2584 0.0481 -0.9849 H 1 UNL1111111111 0.1615 30 H 6.2198 -0.0071 0.7751 H 1 UNL1111111111 0.1632 31 H 7.0391 -2.3861 -1.0434 H 1 UNL1111111111 0.1370 32 H 7.0077 -2.4327 0.7235 H 1 UNL1111111111 0.1386 33 H 4.4703 -1.8409 0.7163 H 1 UNL1111111111 0.1340 34 H 4.5270 -1.8223 -1.0978 H 1 UNL1111111111 0.1292 35 H 8.6915 -0.5305 0.7990 H 1 UNL1111111111 0.1390 36 H 8.7272 -0.4947 -0.9664 H 1 UNL1111111111 0.1379 37 H 10.6378 -1.8566 -0.0773 H 1 UNL1111111111 0.1432 38 H 9.5487 -2.8994 -0.9968 H 1 UNL1111111111 0.1419 39 H 9.5196 -2.9291 0.7703 H 1 UNL1111111111 0.1427 40 H -0.1377 1.8899 -0.1379 H 1 UNL1111111111 0.1867 41 H 2.4089 -2.4129 -0.3101 H 1 UNL1111111111 0.1730 42 H -0.0708 -2.4227 -0.3410 H 1 UNL1111111111 0.1666 43 H -2.0855 -0.4446 -1.2523 H 1 UNL1111111111 0.3572 44 H -4.3267 -0.0462 1.5396 H 1 UNL1111111111 0.3500 45 H -6.2458 0.6683 -2.2452 H 1 UNL1111111111 0.1778 46 H -6.1296 -1.5703 1.4772 H 1 UNL1111111111 0.1822 47 H -8.7520 0.6702 -2.0518 H 1 UNL1111111111 0.1757 48 H -9.8139 -0.4509 -0.0451 H 1 UNL1111111111 0.1765 @BOND 1 1 22 2 2 2 21 1 3 3 21 1 4 4 21 1 5 5 12 1 6 5 14 1 7 6 23 2 8 7 19 1 9 7 22 1 10 7 43 1 11 8 22 1 12 8 23 am 13 8 44 1 14 9 26 ar 15 9 28 ar 16 10 11 1 17 10 12 1 18 10 29 1 19 10 30 1 20 11 13 1 21 11 31 1 22 11 32 1 23 12 33 1 24 12 34 1 25 13 16 1 26 13 35 1 27 13 36 1 28 14 15 ar 29 14 18 ar 30 15 17 ar 31 15 21 1 32 16 37 1 33 16 38 1 34 16 39 1 35 17 19 ar 36 17 40 1 37 18 20 ar 38 18 41 1 39 19 20 ar 40 20 42 1 41 23 24 1 42 24 25 ar 43 24 26 ar 44 25 27 ar 45 25 45 1 46 26 46 1 47 27 28 ar 48 27 47 1 49 28 48 1