@MOLECULE s-(methylseleno) cysteine 9 7 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.1488 1.3608 0.4177 C.3 1 UNL1 -0.0634 2 C 2.5359 -0.0360 -0.1643 C.1 2 UNL2 -0.3062 3 C 2.0192 -0.9626 -1.0246 C.1 2 UNL2 0.1624 4 C -1.1242 -2.1421 0.6088 C.3 1 UNL1 0.6624 5 N 1.5735 -1.7518 -1.7528 N.1 2 UNL2 -0.2358 6 O -1.0986 -3.2812 0.8465 O.3 1 UNL1 -0.3106 7 O -1.1586 -0.9815 0.3810 O.3 1 UNL1 -0.4106 8 S 3.0743 0.9389 0.7400 S.3 2 UNL2 0.3807 9 SE -1.5693 1.0640 -0.2135 Se 1 UNL1 0.1213 @BOND 1 5 3 3 2 3 2 1 3 9 7 1 4 9 1 1 5 2 8 3 6 7 4 1 7 4 6 1