@MOLECULE 1-({6-[(4-azido-2-nitrophenyl)amino]hexanoyl}oxy)-2,5-dioxo-3-pyrrolidinesulfonic acid 32 31 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 8.3770 -0.4123 0.5198 S.3 1 UNL1 2.4902 2 O 3.7594 -1.0687 -0.2986 O.3 2 UNL2 -0.1206 3 O 7.7330 -1.2449 -0.5003 O.3 1 UNL1 -0.9908 4 O 6.1409 -2.6014 -1.8837 O.2 2 UNL2 -0.1713 5 O 4.5288 3.6481 0.2471 O.3 1 UNL1 -0.1212 6 O 8.2735 -0.8315 1.8965 O.3 1 UNL1 -0.9022 7 O 9.5144 0.3786 0.1074 O.3 1 UNL1 -0.9076 8 O 3.6989 1.2315 -0.4547 O.2 2 UNL2 -0.4857 9 O -6.7694 2.4613 -0.9744 O.2 2 UNL2 -0.2948 10 O -4.8704 1.5127 -0.6504 O.2 2 UNL2 -0.5441 11 N 5.1614 -0.9707 -0.3449 N.2 2 UNL2 -0.4126 12 N -4.5028 -0.7451 0.2717 N.pl3 2 UNL2 0.1433 13 N -6.1077 1.5161 -0.6130 N.pl3 2 UNL2 0.6401 14 N -10.1716 -1.0641 0.5434 N.2 2 UNL2 -0.3872 15 N -10.9374 -0.1233 0.1820 N.2 2 UNL2 0.4610 16 N -11.7952 0.5633 -0.0736 N.2 2 UNL2 -0.0988 17 C 7.0835 0.9836 0.5048 C.3 1 UNL1 0.3074 18 C 6.2642 1.9110 0.4432 C.1 1 UNL1 -0.5602 19 C 5.6686 -1.8280 -1.1659 C.1 2 UNL2 0.6216 20 C 5.3187 2.8237 0.3293 C.1 1 UNL1 0.7071 21 C -0.7985 -0.3489 0.0098 C.3 2 UNL2 0.1107 22 C 0.5455 -0.1924 -0.0995 C.1 2 UNL2 0.0593 23 C -2.0067 -0.4909 0.1040 C.1 2 UNL2 -0.0280 24 C 1.7481 -0.0465 -0.2042 C.1 2 UNL2 -0.1121 25 C -3.3529 -0.6238 0.1948 C.1 2 UNL2 0.2070 26 C 3.1564 0.1627 -0.3375 C.2 2 UNL2 0.6101 27 C -5.8375 -0.8051 0.3272 C.ar 2 UNL2 -0.0155 28 C -6.7370 0.3188 -0.1086 C.ar 2 UNL2 -0.0266 29 C -6.5890 -1.8571 0.7721 C.ar 2 UNL2 -0.1040 30 C -8.0689 0.1884 -0.0228 C.ar 2 UNL2 -0.3445 31 C -7.8617 -1.8530 0.8018 C.ar 2 UNL2 -0.0427 32 C -8.8051 -0.9246 0.4492 C.ar 2 UNL2 0.3128 @BOND 1 4 19 2 2 19 11 2 3 9 13 2 4 10 13 2 5 13 28 1 6 3 1 1 7 8 26 2 8 11 2 1 9 26 2 1 10 26 24 1 11 24 22 3 12 28 30 ar 13 28 27 ar 14 22 21 1 15 16 15 2 16 30 32 ar 17 21 23 1 18 23 25 3 19 7 1 1 20 15 14 2 21 25 12 1 22 5 20 1 23 12 27 1 24 27 29 ar 25 20 18 3 26 18 17 1 27 32 14 1 28 32 31 ar 29 17 1 1 30 1 6 1 31 29 31 ar