@MOLECULE 2-[(2,2-diphenylpentanoyl)oxy]-n,n-diethyl-n-methylethanaminium 27 28 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.7417 0.4162 -0.2864 O.3 1 UNL1 -0.2276 2 O -0.2046 -1.7287 0.3116 O.2 1 UNL1 -0.3431 3 N -4.4918 -0.1261 0.4403 N.pl3 1 UNL1 0.2016 4 C -3.1850 0.0152 0.1705 C.1 1 UNL1 -0.0999 5 C -5.3276 -0.4895 -0.6386 C.2 1 UNL1 -0.6113 6 C -4.9794 0.0453 1.6391 C.1 1 UNL1 -0.5988 7 C -6.6785 -0.7419 -0.7093 C.2 1 UNL1 0.4022 8 C 1.5484 -0.1494 -0.4287 C.3 1 UNL1 0.0642 9 C -1.9943 0.1859 -0.0283 C.1 1 UNL1 0.1168 10 C 1.7481 -0.4189 -1.8244 C.1 1 UNL1 0.0481 11 C -5.1037 -0.7257 -1.9793 C.3 1 UNL1 0.3351 12 C -5.4139 0.2160 2.8195 C.1 1 UNL1 0.2593 13 C 0.1363 -0.6562 -0.0594 C.2 1 UNL1 0.5396 14 C 1.6730 1.3159 -0.1405 C.ar 1 UNL1 -0.0392 15 C 2.5321 -0.9382 0.3859 C.ar 1 UNL1 -0.0454 16 C 1.9327 -0.6505 -3.0375 C.1 1 UNL1 -0.4675 17 C 2.2369 2.2536 -1.0047 C.ar 1 UNL1 0.0134 18 C 2.7594 -2.3078 0.2574 C.ar 1 UNL1 0.0281 19 C 1.2553 1.9408 1.0351 C.ar 1 UNL1 0.0393 20 C 3.3550 -0.4103 1.3805 C.ar 1 UNL1 0.0273 21 C 2.1269 -0.8991 -4.3153 C.3 1 UNL1 0.3742 22 C 2.3564 3.5453 -0.7475 C.ar 1 UNL1 -0.0371 23 C 3.6220 -3.0026 0.9792 C.ar 1 UNL1 -0.0306 24 C 1.3775 3.2343 1.2840 C.ar 1 UNL1 -0.0243 25 C 4.2173 -1.1123 2.0965 C.ar 1 UNL1 -0.0331 26 C 1.9292 4.0691 0.4026 C.ar 1 UNL1 0.0524 27 C 4.3747 -2.4236 1.9161 C.ar 1 UNL1 0.0564 @BOND 1 21 16 1 2 16 10 3 3 11 5 1 4 10 8 1 5 17 22 ar 6 17 14 ar 7 22 26 ar 8 7 5 2 9 5 3 1 10 8 14 1 11 8 13 1 12 8 15 1 13 1 13 1 14 1 9 1 15 14 19 ar 16 13 2 2 17 9 4 3 18 4 3 1 19 18 15 ar 20 18 23 ar 21 15 20 ar 22 26 24 ar 23 3 6 1 24 23 27 ar 25 19 24 ar 26 20 25 ar 27 6 12 3 28 27 25 ar