@MOLECULE 4-methyl-3-(methylsulfonyl)-5-phenyl-4h-1,2,4-triazole 27 28 0 0 0 SMALL GASTEIGER @ATOM 1 S 3.0315 -0.2183 -0.1171 S.O2 1 UNL1111111111 2.2816 2 O 2.9841 -1.5776 0.3830 O.2 1 UNL1111111111 -0.9305 3 O 3.4276 0.0248 -1.4807 O.2 1 UNL1111111111 -0.8810 4 N 0.2005 -0.3554 -0.1263 N.ar 1 UNL1111111111 -0.1891 5 N 1.0334 1.6206 0.4559 N.ar 1 UNL1111111111 -0.1887 6 N -0.2892 1.7259 0.5040 N.ar 1 UNL1111111111 -0.1939 7 C 1.3697 0.3621 0.0717 C.ar 1 UNL1111111111 -0.2429 8 C -0.8437 0.5281 0.1520 C.ar 1 UNL1111111111 0.1189 9 C -2.2594 0.2130 0.0783 C.ar 1 UNL1111111111 -0.0374 10 C 0.0933 -1.7321 -0.5681 C.3 1 UNL1111111111 -0.2674 11 C 3.9937 0.7817 0.9715 C.3 1 UNL1111111111 -0.7492 12 C -3.0749 0.9373 -0.7945 C.ar 1 UNL1111111111 -0.1136 13 C -2.8016 -0.7871 0.8904 C.ar 1 UNL1111111111 -0.1452 14 C -4.4345 0.6433 -0.8684 C.ar 1 UNL1111111111 -0.1420 15 C -4.1610 -1.0752 0.8102 C.ar 1 UNL1111111111 -0.1437 16 C -4.9755 -0.3638 -0.0709 C.ar 1 UNL1111111111 -0.1221 17 H 0.3750 -1.8257 -1.6371 H 1 UNL1111111111 0.1767 18 H 0.7760 -2.3916 0.0187 H 1 UNL1111111111 0.2056 19 H -0.9378 -2.1115 -0.4523 H 1 UNL1111111111 0.1665 20 H 4.0637 0.3498 1.9801 H 1 UNL1111111111 0.1952 21 H 5.0232 0.9075 0.6041 H 1 UNL1111111111 0.1975 22 H 3.5842 1.8003 1.0891 H 1 UNL1111111111 0.2100 23 H -2.6453 1.7331 -1.4052 H 1 UNL1111111111 0.1697 24 H -2.1675 -1.3247 1.5939 H 1 UNL1111111111 0.1582 25 H -5.0738 1.2051 -1.5483 H 1 UNL1111111111 0.1588 26 H -4.5890 -1.8530 1.4410 H 1 UNL1111111111 0.1566 27 H -6.0385 -0.5927 -0.1310 H 1 UNL1111111111 0.1514 @BOND 1 1 2 2 2 1 3 2 3 1 7 1 4 1 11 1 5 4 7 ar 6 4 8 ar 7 4 10 1 8 5 6 ar 9 5 7 ar 10 6 8 ar 11 8 9 1 12 9 12 ar 13 9 13 ar 14 10 17 1 15 10 18 1 16 10 19 1 17 11 20 1 18 11 21 1 19 11 22 1 20 12 14 ar 21 12 23 1 22 13 15 ar 23 13 24 1 24 14 16 ar 25 14 25 1 26 15 16 ar 27 15 26 1 28 16 27 1