@MOLECULE 2-({[(4-methylphenyl)sulfonyl]carbamoyl}amino)-4-thioxomorpholin-4-ium 21 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -2.0769 -1.1196 0.4225 S.O2 1 UNL1 2.3552 2 S 5.5737 -1.1970 1.0729 S.3 1 UNL1 0.2119 3 O 6.5289 3.1886 -0.3235 O.3 1 UNL1 -0.2818 4 O -0.0581 -0.6817 -2.6534 O.2 1 UNL1 -0.3901 5 O -1.5065 -1.0466 1.7337 O.2 1 UNL1 -0.8288 6 O -2.3240 -2.3635 -0.2381 O.2 1 UNL1 -0.8430 7 N 4.6356 0.0332 0.1871 N.pl3 1 UNL1 0.4099 8 N 1.1651 -1.0805 -0.7415 N.am 1 UNL1 -0.4799 9 N -0.9823 -0.1990 -0.6080 N.am 1 UNL1 -0.5773 10 C 2.2732 -0.6067 -0.5138 C.1 1 UNL1 0.4622 11 C 3.4548 -0.2823 -0.1672 C.1 1 UNL1 -0.4659 12 C 5.3092 1.1080 0.0250 C.1 1 UNL1 -0.6654 13 C 5.9316 2.2029 -0.1674 C.1 1 UNL1 0.6003 14 C 0.0166 -0.6536 -1.4534 C.2 1 UNL1 0.7146 15 C -3.4763 -0.1039 0.3284 C.ar 1 UNL1 -0.3506 16 C -3.7802 1.0382 1.0597 C.ar 1 UNL1 0.0527 17 C -4.6075 -0.2381 -0.5005 C.ar 1 UNL1 0.0018 18 C -5.9908 1.6599 0.1781 C.ar 1 UNL1 -0.4313 19 C -4.8459 1.7977 1.0094 C.ar 1 UNL1 -0.0262 20 C -5.6598 0.4893 -0.5650 C.ar 1 UNL1 -0.0127 21 C -7.0947 2.4286 0.1041 C.3 1 UNL1 0.5442 @BOND 1 4 14 2 2 14 8 am 3 14 9 am 4 8 10 1 5 9 1 1 6 20 17 ar 7 20 18 ar 8 10 11 3 9 17 15 ar 10 3 13 1 11 6 1 2 12 13 12 3 13 11 7 1 14 12 7 1 15 21 18 1 16 18 19 ar 17 7 2 1 18 15 1 1 19 15 16 ar 20 1 5 2 21 19 16 ar