@MOLECULE (3as,8ar)-1,1,3a,8-tetramethyl-5-[(methylcarbamoyl)oxy]-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-1-ium 21 22 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.9522 -0.9142 -0.6861 O.3 1 UNL1 -0.2748 2 O -5.0848 -1.0286 -1.2310 O.2 1 UNL1 -0.3727 3 N 4.5849 0.4089 -1.5288 N.1 1 UNL1 -0.4838 4 N 1.6459 1.9672 0.9616 N.1 1 UNL1 -0.5357 5 N -4.4590 0.7283 0.0990 N.am 1 UNL1 -0.6759 6 C 1.7801 -0.9441 0.4662 C.3 1 UNL1 -0.0609 7 C 2.3128 -1.2275 1.9092 C.3 1 UNL1 0.4716 8 C 1.7270 -2.2903 1.1850 C.2 1 UNL1 -0.8478 9 C 1.3935 -3.5484 1.0730 C.2 1 UNL1 0.5936 10 C 0.5376 -0.1565 0.3359 C.ar 1 UNL1 -0.0793 11 C 2.6539 -0.8510 -0.6044 C.3 1 UNL1 -0.2020 12 C 0.5480 1.2674 0.5583 C.ar 1 UNL1 0.2362 13 C 5.4885 1.1397 -1.8308 C.1 1 UNL1 0.3851 14 C 3.6151 -0.4539 -1.3745 C.3 1 UNL1 0.1843 15 C 2.5928 2.5861 1.3207 C.1 1 UNL1 0.3758 16 C -0.6632 -0.7045 -0.0343 C.ar 1 UNL1 0.0221 17 C -0.7016 1.8009 0.3239 C.ar 1 UNL1 -0.0503 18 C -1.9132 -0.1577 -0.2612 C.ar 1 UNL1 0.1698 19 C -1.7824 1.1949 -0.0395 C.ar 1 UNL1 -0.0830 20 C -4.2442 -0.4122 -0.6430 C.2 1 UNL1 0.7547 21 C -4.7051 1.7244 0.7150 C.1 1 UNL1 0.4731 @BOND 1 13 3 3 2 3 14 1 3 14 11 1 4 2 20 2 5 1 20 1 6 1 18 1 7 20 5 am 8 11 6 1 9 18 19 ar 10 18 16 ar 11 19 17 ar 12 16 10 ar 13 5 21 3 14 17 12 ar 15 10 6 1 16 10 12 ar 17 6 8 1 18 6 7 1 19 12 4 1 20 4 15 3 21 9 8 2 22 8 7 1