@MOLECULE [2-(allylamino)-4-amino-1,3-thiazol-5-yl](4-pyridinyl)methanone 30 31 0 0 0 SMALL GASTEIGER @ATOM 1 N 1.9536 -1.2493 0.3014 N.ar 1 UNL11 -0.6109 2 C 0.6573 -1.7158 0.5498 C.ar 1 UNL11 0.5163 3 N 0.4966 -2.9854 0.9769 N.pl3 1 UNL11 -0.5379 4 C -0.3926 -0.7983 0.3298 C.ar 1 UNL11 -0.6100 5 C -1.7673 -1.0990 0.5384 C.2 1 UNL11 0.5324 6 C -2.7589 -0.0134 0.2767 C.ar 1 UNL11 -0.0416 7 C -3.4025 0.0572 -0.9560 C.ar 1 UNL11 -0.2136 8 C -4.3280 1.0900 -1.1560 C.ar 1 UNL11 0.0503 9 N -4.6092 2.0062 -0.2107 N.ar 1 UNL11 -0.3718 10 C -3.9814 1.9223 0.9773 C.ar 1 UNL11 0.0508 11 C -3.0452 0.9215 1.2683 C.ar 1 UNL11 -0.2165 12 O -2.1520 -2.1933 0.9173 O.2 1 UNL11 -0.5255 13 S 0.2498 0.7236 -0.2249 S.2 1 UNL11 0.1494 14 C 1.9220 0.0247 -0.1167 C.ar 1 UNL11 0.3482 15 N 3.0206 0.7249 -0.4501 N.pl3 1 UNL11 -0.4672 16 C 4.3555 0.1135 -0.2965 C.3 1 UNL11 -0.0800 17 C 5.4238 1.1571 -0.4126 C.2 1 UNL11 -0.1694 18 C 6.5003 1.1602 0.3714 C.2 1 UNL11 -0.2828 19 H 1.2773 -3.5920 1.1186 H 1 UNL11 0.3181 20 H -0.4456 -3.3184 1.1595 H 1 UNL11 0.3517 21 H -3.1994 -0.6697 -1.7380 H 1 UNL11 0.1737 22 H -4.8710 1.2000 -2.1014 H 1 UNL11 0.1691 23 H -4.2484 2.6902 1.7117 H 1 UNL11 0.1685 24 H -2.5614 0.8762 2.2406 H 1 UNL11 0.1735 25 H 2.9748 1.7003 -0.7019 H 1 UNL11 0.3278 26 H 4.4014 -0.4365 0.6782 H 1 UNL11 0.1756 27 H 4.4876 -0.6707 -1.0866 H 1 UNL11 0.1685 28 H 5.2778 1.8958 -1.2003 H 1 UNL11 0.1505 29 H 7.2975 1.8848 0.2846 H 1 UNL11 0.1509 30 H 6.6772 0.4427 1.1601 H 1 UNL11 0.1519 @BOND 1 1 2 ar 2 1 14 ar 3 2 3 1 4 2 4 ar 5 3 19 1 6 3 20 1 7 4 5 1 8 4 13 ar 9 5 6 1 10 5 12 2 11 6 7 ar 12 6 11 ar 13 7 8 ar 14 7 21 1 15 8 9 ar 16 8 22 1 17 9 10 ar 18 10 11 ar 19 10 23 1 20 11 24 1 21 13 14 ar 22 14 15 1 23 15 16 1 24 15 25 1 25 16 17 1 26 16 26 1 27 16 27 1 28 17 18 2 29 17 28 1 30 18 29 1 31 18 30 1