@MOLECULE aminothiazoline 12 12 0 0 0 SMALL USER_CHARGES @ATOM 1 S -0.2171 -1.2487 0.0021 S.3 1 UNL11111111 -0.0335 2 N 0.2372 1.3744 -0.0397 N.2 1 UNL11111111 -0.4952 3 N 2.2190 0.0963 0.0568 N.pl3 1 UNL11111111 -0.5974 4 C -1.7127 -0.1746 -0.0043 C.3 1 UNL11111111 -0.3566 5 C -1.2168 1.2940 0.0268 C.3 1 UNL11111111 -0.0854 6 C 0.8482 0.2356 -0.0254 C.2 1 UNL11111111 0.3123 7 H -2.3389 -0.4080 0.8717 H 1 UNL11111111 0.1672 8 H -2.3139 -0.3804 -0.9044 H 1 UNL11111111 0.1664 9 H -1.6314 1.8762 -0.8279 H 1 UNL11111111 0.1578 10 H -1.5536 1.8093 0.9557 H 1 UNL11111111 0.1572 11 H 2.6495 -0.7067 -0.3608 H 1 UNL11111111 0.3015 12 H 2.7650 0.9428 -0.0045 H 1 UNL11111111 0.3057 @BOND 1 8 4 1 2 9 5 1 3 11 3 1 4 2 6 2 5 2 5 1 6 6 1 1 7 6 3 1 8 12 3 1 9 4 1 1 10 4 5 1 11 4 7 1 12 5 10 1