@MOLECULE 2-(allylthio)pyrazine 18 18 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.9504 -0.8478 -0.1033 S.3 1 UNL1111111111 0.0987 2 N 0.9485 1.0311 -0.0354 N.ar 1 UNL1111111111 -0.3551 3 N 3.0535 -0.7945 0.1044 N.ar 1 UNL1111111111 -0.2899 4 C -1.9297 0.7085 -0.1919 C.3 1 UNL1111111111 -0.3219 5 C 0.7174 -0.2939 -0.0277 C.ar 1 UNL1111111111 0.0148 6 C 1.7841 -1.2218 0.0432 C.ar 1 UNL1111111111 -0.0319 7 C -3.3400 0.2903 -0.4015 C.2 1 UNL1111111111 -0.1196 8 C 2.2243 1.4538 0.0271 C.ar 1 UNL1111111111 -0.0086 9 C 3.2865 0.5320 0.0976 C.ar 1 UNL1111111111 -0.0573 10 C -4.2155 0.1772 0.5984 C.2 1 UNL1111111111 -0.3021 11 H -1.7836 1.3006 0.7338 H 1 UNL1111111111 0.1775 12 H -1.5555 1.3534 -1.0137 H 1 UNL1111111111 0.1802 13 H 1.6328 -2.3078 0.0514 H 1 UNL1111111111 0.1958 14 H -3.6208 0.0883 -1.4372 H 1 UNL1111111111 0.1505 15 H 2.3806 2.5368 0.0205 H 1 UNL1111111111 0.1860 16 H 4.3330 0.8456 0.1490 H 1 UNL1111111111 0.1881 17 H -5.2429 -0.1214 0.4570 H 1 UNL1111111111 0.1448 18 H -3.9768 0.3694 1.6339 H 1 UNL1111111111 0.1500 @BOND 1 1 4 1 2 1 5 1 3 2 5 ar 4 2 8 ar 5 3 6 ar 6 3 9 ar 7 4 7 1 8 4 11 1 9 4 12 1 10 5 6 ar 11 6 13 1 12 7 10 2 13 7 14 1 14 8 9 ar 15 8 15 1 16 9 16 1 17 10 17 1 18 10 18 1