@MOLECULE 4-(5h-dibenzo[a,d][7]annulen-5-ylidene)-1-(beta-d-glucopyranuronosyl)-1-methylpiperidinium 34 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -5.6162 0.2583 -2.4094 O.2 1 UNL1 -0.0149 2 O -3.3670 -0.3127 -1.1999 O.2 1 UNL1 -0.5385 3 O -4.3844 -1.6971 1.7732 O.2 1 UNL1 -0.1937 4 O -7.0216 -0.9866 0.3054 O.2 1 UNL1 -0.2471 5 O -2.6425 2.9634 -0.6054 O.2 1 UNL1 -0.2177 6 O -4.7075 1.8723 -0.4935 O.2 1 UNL1 -0.4797 7 N -0.9554 -1.0099 0.6799 N.ar 1 UNL1 -0.0346 8 C -2.3281 -1.2313 0.8467 C.2 1 UNL1 -0.4747 9 C -0.4319 0.2721 0.7723 C.ar 1 UNL1 0.0465 10 C -0.0810 -1.9795 0.3846 C.ar 1 UNL1 0.0760 11 C -3.3069 -0.8175 -0.0937 C.2 1 UNL1 0.4976 12 C 0.9445 0.4216 0.5503 C.ar 1 UNL1 -0.2402 13 C 1.1986 -1.8393 0.1868 C.ar 1 UNL1 -0.1221 14 C -2.9535 -1.7752 1.9979 C.2 1 UNL1 0.3718 15 C -4.6273 -1.1491 0.6046 C.3 1 UNL1 -0.0695 16 C 1.8624 -0.6500 0.2319 C.ar 1 UNL1 0.0722 17 C -5.8627 -0.8545 0.0217 C.2 1 UNL1 0.3540 18 C -5.6065 -0.1944 -1.3747 C.1 1 UNL1 0.4961 19 C 3.2223 -0.1420 0.0511 C.ar 1 UNL1 0.0105 20 C -3.6542 2.4005 -0.5481 C.1 1 UNL1 0.7040 21 C 3.1253 1.2927 0.2681 C.ar 1 UNL1 -0.0377 22 C 4.2751 -1.0382 -0.2702 C.ar 1 UNL1 0.0393 23 C 4.1392 2.3275 0.2188 C.ar 1 UNL1 0.0247 24 C 5.7244 -0.6908 -0.4914 C.ar 1 UNL1 0.0418 25 C 1.7331 1.6303 0.5716 C.ar 1 UNL1 0.0388 26 C 4.0592 -2.4031 -0.4165 C.ar 1 UNL1 -0.0224 27 C 5.3663 1.7463 -0.0871 C.ar 1 UNL1 -0.0172 28 C 5.9015 0.6742 -0.3364 C.ar 1 UNL1 -0.0677 29 C 3.6965 3.6014 0.4679 C.ar 1 UNL1 0.0095 30 C 6.5757 -1.7194 -0.7863 C.ar 1 UNL1 -0.0120 31 C 1.4820 2.9524 0.7940 C.ar 1 UNL1 0.0359 32 C 4.9489 -3.3256 -0.7017 C.ar 1 UNL1 0.0093 33 C 2.4348 3.8655 0.7372 C.ar 1 UNL1 -0.0412 34 C 6.2270 -2.9912 -0.8898 C.ar 1 UNL1 0.0029 @BOND 1 1 18 2 2 18 17 2 3 2 11 2 4 34 30 ar 5 34 32 ar 6 30 24 ar 7 32 26 ar 8 5 20 2 9 20 6 2 10 24 28 ar 11 24 22 ar 12 26 22 ar 13 28 27 ar 14 22 19 ar 15 11 15 1 16 11 8 1 17 27 23 ar 18 17 4 1 19 17 15 1 20 19 16 ar 21 19 21 ar 22 13 16 ar 23 13 10 ar 24 23 21 ar 25 23 29 ar 26 16 12 ar 27 21 25 ar 28 10 7 ar 29 29 33 ar 30 12 25 ar 31 12 9 ar 32 25 31 ar 33 15 3 1 34 7 9 ar 35 7 8 1 36 33 31 ar 37 8 14 2 38 3 14 1