@MOLECULE 2-{4-[(1e)-1,2-diphenyl-1-buten-1-yl]phenoxy}-n,n-dimethylethanaminium 28 30 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.2064 -1.5291 -0.0397 O.3 1 UNL11 -0.0690 2 N 7.2464 0.8772 -0.0075 N.4 1 UNL11 -0.3987 3 C 6.0883 0.1242 0.0254 C.3 1 UNL11 -0.0752 4 C -1.4245 -0.5374 0.0221 C.2 1 UNL11 -0.0226 5 C 5.0908 -0.5634 -0.0049 C.3 1 UNL11 0.0479 6 C -1.4445 0.8609 0.0217 C.2 1 UNL11 0.0836 7 C -0.0532 -0.9713 0.0269 C.ar 1 UNL11 -0.0226 8 C 8.4266 0.2028 0.0109 C.3 1 UNL11 0.2101 9 C 7.1380 2.2241 -0.0792 C.3 1 UNL11 0.1940 10 C -0.0706 1.3733 0.0313 C.3 1 UNL11 -0.5324 11 C -2.5988 -1.3224 0.0083 C.ar 1 UNL11 0.0240 12 C -2.6745 1.5700 0.0062 C.ar 1 UNL11 -0.0217 13 C 2.8765 -1.1886 0.0043 C.ar 1 UNL11 0.1533 14 C 0.6780 -2.1212 0.0171 C.ar 1 UNL11 0.0308 15 C 0.8085 0.2093 0.0322 C.ar 1 UNL11 0.0485 16 C 1.9678 -2.2290 0.0062 C.ar 1 UNL11 -0.0802 17 C 2.1613 -0.0099 0.0225 C.ar 1 UNL11 -0.0768 18 C 0.3067 2.6516 0.0343 C.3 1 UNL11 0.5712 19 C -3.8742 -0.6281 -0.0105 C.ar 1 UNL11 -0.0109 20 C -2.6787 -2.7114 0.0080 C.ar 1 UNL11 -0.0160 21 C -2.8580 2.9502 0.0069 C.ar 1 UNL11 -0.0630 22 C -3.9052 0.7947 -0.0111 C.ar 1 UNL11 0.0188 23 C -4.9991 -1.4457 -0.0277 C.ar 1 UNL11 -0.0056 24 C -3.7947 -3.3935 -0.0125 C.ar 1 UNL11 0.0126 25 C -4.0160 3.5516 -0.0054 C.ar 1 UNL11 0.0081 26 C -5.0822 1.5359 -0.0248 C.ar 1 UNL11 -0.0066 27 C -4.9707 -2.7530 -0.0253 C.ar 1 UNL11 -0.0064 28 C -5.1513 2.8401 -0.0216 C.ar 1 UNL11 0.0046 @BOND 1 1 5 1 2 1 13 1 3 2 3 1 4 2 8 1 5 2 9 1 6 3 5 1 7 4 6 2 8 4 7 1 9 4 11 1 10 6 10 1 11 6 12 1 12 7 14 ar 13 7 15 ar 14 10 18 1 15 11 19 ar 16 11 20 ar 17 12 21 ar 18 12 22 ar 19 13 16 ar 20 13 17 ar 21 14 16 ar 22 15 17 ar 23 19 23 ar 24 20 24 ar 25 21 25 ar 26 22 26 ar 27 23 27 ar 28 24 27 ar 29 25 28 ar 30 26 28 ar