@MOLECULE 3-isothiocyanato-5-(1-methyl-2-pyrrolidinyl)pyridine 28 29 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.3720 -1.6728 0.1412 S.2 1 UNL1111111111 -0.1912 2 N 2.1022 -1.1723 -0.6503 N.3 1 UNL1111111111 -0.4247 3 N -0.1306 3.0868 -0.0902 N.ar 1 UNL1111111111 -0.3299 4 N -2.6236 0.4430 0.0396 N.2 1 UNL1111111111 -0.3946 5 C 2.3312 0.2308 -0.2005 C.3 1 UNL1111111111 0.0411 6 C 2.9642 0.1809 1.2184 C.3 1 UNL1111111111 -0.2910 7 C 3.4817 -1.2540 1.3745 C.3 1 UNL1111111111 -0.2931 8 C 2.6044 -2.0803 0.4132 C.3 1 UNL1111111111 -0.1033 9 C 1.0145 0.9616 -0.1511 C.ar 1 UNL1111111111 -0.0664 10 C 2.7151 -1.4389 -1.9643 C.3 1 UNL1111111111 -0.2733 11 C -0.2006 0.2863 -0.0901 C.ar 1 UNL1111111111 -0.1387 12 C 1.0037 2.3669 -0.1516 C.ar 1 UNL1111111111 -0.0023 13 C -1.3834 1.0372 -0.0263 C.ar 1 UNL1111111111 0.1347 14 C -1.3079 2.4500 -0.0279 C.ar 1 UNL1111111111 0.0174 15 C -3.2965 -0.5550 0.0783 C.1 1 UNL1111111111 0.3321 16 H 3.0236 0.7682 -0.8986 H 1 UNL1111111111 0.1373 17 H 2.2131 0.4126 1.9941 H 1 UNL1111111111 0.1533 18 H 3.7644 0.9268 1.3283 H 1 UNL1111111111 0.1428 19 H 4.5472 -1.3265 1.1017 H 1 UNL1111111111 0.1384 20 H 3.4003 -1.6119 2.4122 H 1 UNL1111111111 0.1460 21 H 3.1443 -2.9518 0.0035 H 1 UNL1111111111 0.1299 22 H 1.7060 -2.4732 0.9396 H 1 UNL1111111111 0.1460 23 H 2.4423 -2.4607 -2.2803 H 1 UNL1111111111 0.1504 24 H 3.8105 -1.3458 -1.9880 H 1 UNL1111111111 0.1207 25 H 2.2850 -0.7475 -2.7094 H 1 UNL1111111111 0.1493 26 H -0.2221 -0.8082 -0.1039 H 1 UNL1111111111 0.2007 27 H 1.9302 2.9499 -0.2021 H 1 UNL1111111111 0.1765 28 H -2.2079 3.0737 0.0203 H 1 UNL1111111111 0.1913 @BOND 1 1 15 2 2 2 5 1 3 2 8 1 4 2 10 1 5 3 12 ar 6 3 14 ar 7 4 13 1 8 4 15 2 9 5 6 1 10 5 9 1 11 5 16 1 12 6 7 1 13 6 17 1 14 6 18 1 15 7 8 1 16 7 19 1 17 7 20 1 18 8 21 1 19 8 22 1 20 9 11 ar 21 9 12 ar 22 10 23 1 23 10 24 1 24 10 25 1 25 11 13 ar 26 11 26 1 27 12 27 1 28 13 14 ar 29 14 28 1