@MOLECULE 1-[[(6aS,7R,9R,10aS)-7-methyl-7-oxido-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-4,7-diium-9-yl]methyl]imidazolidine-2,4-dione 48 52 0 0 0 SMALL USER_CHARGES @ATOM 1 O 0.4235 -2.8444 -1.3042 O.3 1 UNL11111111 -0.7339 2 O -3.3125 1.2056 2.1141 O.2 1 UNL11111111 -0.4803 3 O -4.8171 1.7153 -2.1814 O.2 1 UNL11111111 -0.4367 4 N 0.6756 -2.7351 -0.0319 N.4 1 UNL11111111 0.3483 5 N -3.7268 -0.3923 0.4475 N.am 1 UNL11111111 -0.4762 6 N 5.0848 1.3853 -0.2006 N.ar 1 UNL11111111 -0.3833 7 N -4.0877 1.8224 0.0050 N.am 1 UNL11111111 -0.6529 8 C 1.5187 -1.4802 0.2421 C.3 1 UNL11111111 -0.0335 9 C 0.7031 -0.2233 -0.1969 C.3 1 UNL11111111 -0.1331 10 C -1.4330 -1.4387 0.2479 C.3 1 UNL11111111 -0.1507 11 C -0.6400 -0.1632 0.5392 C.3 1 UNL11111111 -0.2926 12 C -0.6351 -2.6491 0.7497 C.3 1 UNL11111111 -0.2260 13 C 2.8605 -1.6013 -0.5304 C.3 1 UNL11111111 -0.2736 14 C 1.5109 1.0236 0.0155 C.ar 1 UNL11111111 0.0425 15 C 3.6210 -0.3477 -0.3791 C.ar 1 UNL11111111 -0.0918 16 C -2.8193 -1.4335 0.9238 C.3 1 UNL11111111 -0.0839 17 C 2.8906 0.8556 -0.1185 C.ar 1 UNL11111111 -0.1237 18 C 1.4051 -3.9715 0.4544 C.3 1 UNL11111111 -0.3807 19 C 3.8147 1.9260 -0.0058 C.ar 1 UNL11111111 0.1264 20 C 1.0588 2.3025 0.2771 C.ar 1 UNL11111111 -0.2180 21 C 4.9570 -0.0007 -0.4279 C.ar 1 UNL11111111 -0.0511 22 C 3.3439 3.2219 0.2609 C.ar 1 UNL11111111 -0.2317 23 C 1.9755 3.3763 0.3979 C.ar 1 UNL11111111 -0.0890 24 C -4.0500 -0.3086 -0.9953 C.3 1 UNL11111111 -0.1814 25 C -3.6327 0.9061 0.9937 C.2 1 UNL11111111 0.6890 26 C -4.3871 1.1704 -1.2055 C.2 1 UNL11111111 0.5695 27 H 1.7199 -1.4239 1.3369 H 1 UNL11111111 0.1425 28 H 0.5106 -0.3293 -1.3046 H 1 UNL11111111 0.1956 29 H -1.5518 -1.5508 -0.8655 H 1 UNL11111111 0.1845 30 H -1.2045 0.7289 0.2045 H 1 UNL11111111 0.1528 31 H -0.4879 -0.0227 1.6264 H 1 UNL11111111 0.1566 32 H -1.2030 -3.5846 0.5625 H 1 UNL11111111 0.1577 33 H -0.4218 -2.5799 1.8317 H 1 UNL11111111 0.1425 34 H 3.4442 -2.4723 -0.1797 H 1 UNL11111111 0.1479 35 H 2.6338 -1.7996 -1.6088 H 1 UNL11111111 0.1981 36 H -3.3268 -2.4141 0.7592 H 1 UNL11111111 0.1514 37 H -2.7120 -1.3091 2.0303 H 1 UNL11111111 0.1691 38 H 0.7466 -4.8493 0.3663 H 1 UNL11111111 0.1656 39 H 1.7492 -3.8608 1.4871 H 1 UNL11111111 0.1461 40 H 2.2616 -4.1764 -0.2099 H 1 UNL11111111 0.1782 41 H -0.0008 2.5111 0.3951 H 1 UNL11111111 0.1579 42 H 5.8231 -0.6069 -0.6039 H 1 UNL11111111 0.1656 43 H 5.9380 1.8886 -0.1918 H 1 UNL11111111 0.3114 44 H 4.0236 4.0593 0.3535 H 1 UNL11111111 0.1566 45 H 1.5709 4.3677 0.6068 H 1 UNL11111111 0.1492 46 H -4.9271 -0.9564 -1.2179 H 1 UNL11111111 0.1869 47 H -3.2195 -0.6296 -1.6613 H 1 UNL11111111 0.1849 48 H -4.2404 2.7991 0.1877 H 1 UNL11111111 0.3476 @BOND 1 3 26 2 2 47 24 1 3 35 13 1 4 28 9 1 5 1 4 1 6 46 24 1 7 26 24 1 8 26 7 am 9 24 5 1 10 29 10 1 11 42 21 1 12 13 15 1 13 13 34 1 14 13 8 1 15 21 15 ar 16 21 6 ar 17 15 17 ar 18 40 18 1 19 6 43 1 20 6 19 ar 21 9 14 1 22 9 8 1 23 9 11 1 24 17 19 ar 25 17 14 ar 26 4 8 1 27 4 18 1 28 4 12 1 29 19 22 ar 30 7 48 1 31 7 25 am 32 14 20 ar 33 30 11 1 34 8 27 1 35 10 11 1 36 10 12 1 37 10 16 1 38 22 44 1 39 22 23 ar 40 20 41 1 41 20 23 ar 42 38 18 1 43 23 45 1 44 5 16 1 45 5 25 am 46 18 39 1 47 11 31 1 48 32 12 1 49 12 33 1 50 36 16 1 51 16 37 1 52 25 2 2