@MOLECULE 2-amino-4-(methylsulfanyl)-6-oxo-6h-1,3-oxazine-5-carbonitrile 17 17 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.1241 0.5128 -0.0019 O.2 1 UNL1 -0.4712 2 C -1.2732 1.5362 0.0040 C.ar 1 UNL1 0.6546 3 N 0.0706 1.4208 -0.0019 N.ar 1 UNL1 -0.6220 4 C 0.5890 0.1684 -0.0041 C.ar 1 UNL1 0.2968 5 C -0.2042 -0.9773 -0.0014 C.ar 1 UNL1 -0.4370 6 C -1.6287 -0.8658 -0.0078 C.ar 1 UNL1 0.6473 7 N -1.8821 2.7447 0.0164 N.pl3 1 UNL1 -0.5540 8 S 2.3367 0.0441 -0.0073 S.3 1 UNL1 0.2036 9 C 2.9295 1.7544 -0.0011 C.3 1 UNL1 -0.5054 10 C 0.3370 -2.2750 0.0100 C.1 1 UNL1 0.1714 11 N 0.7859 -3.3430 0.0214 N.1 1 UNL1 -0.2487 12 O -2.5367 -1.6311 -0.0171 O.2 1 UNL1 -0.3399 13 H -1.3377 3.5892 0.0208 H 1 UNL1 0.3338 14 H -2.8844 2.8139 0.0182 H 1 UNL1 0.3335 15 H 4.0265 1.7430 0.0181 H 1 UNL1 0.1747 16 H 2.6029 2.3112 -0.8900 H 1 UNL1 0.1810 17 H 2.5722 2.3149 0.8738 H 1 UNL1 0.1816 @BOND 1 16 9 1 2 12 6 2 3 6 1 ar 4 6 5 ar 5 8 4 1 6 8 9 1 7 4 3 ar 8 4 5 ar 9 1 2 ar 10 3 2 ar 11 5 10 1 12 9 15 1 13 9 17 1 14 2 7 1 15 10 11 3 16 7 14 1 17 7 13 1