@MOLECULE 2,2',2''-[benzene-1,2,3-triyltris(oxy)]tris(n,n,n-triethylethanaminium) 36 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.1257 1.1436 -0.2254 O.3 1 UNL1 -0.0785 2 O 2.4367 2.5950 0.3226 O.3 1 UNL1 -0.0478 3 O -2.6119 2.6342 0.3289 O.3 1 UNL1 -0.0576 4 N 0.2698 -1.4955 2.6308 N.pl3 1 UNL1 0.5955 5 N 3.0856 -0.7897 -1.5723 N.pl3 1 UNL1 0.5320 6 N -3.1117 -0.4649 -1.9814 N.pl3 1 UNL1 -0.1239 7 C 0.1153 -0.5479 1.6280 C.1 1 UNL1 -0.1178 8 C 2.8582 0.4357 -0.8972 C.1 1 UNL1 -0.1232 9 C -2.9902 0.5979 -1.1186 C.1 1 UNL1 0.0019 10 C -0.3686 -2.7921 2.3296 C.2 1 UNL1 -0.5334 11 C 0.3108 -1.0050 3.8719 C.1 1 UNL1 -0.8195 12 C 1.0626 -2.6641 2.2278 C.2 1 UNL1 -0.5446 13 C 3.8566 -1.7083 -0.8607 C.1 1 UNL1 -0.6034 14 C 1.7921 -1.2305 -1.9244 C.1 1 UNL1 -0.1085 15 C 4.0060 -0.7207 -2.6179 C.1 1 UNL1 -0.6142 16 C -4.3905 -2.0609 -0.5759 C.1 1 UNL1 -0.2015 17 C -1.9031 -1.0848 -2.0906 C.1 1 UNL1 0.1378 18 C -4.2559 -1.3151 -1.7569 C.2 1 UNL1 -0.3334 19 C -0.0072 0.3066 0.7785 C.1 1 UNL1 0.1123 20 C 2.5649 1.4648 -0.3311 C.1 1 UNL1 0.1128 21 C -2.7312 1.5570 -0.4232 C.1 1 UNL1 0.0122 22 C -1.4736 -3.4868 2.3040 C.2 1 UNL1 0.4791 23 C 0.3501 -0.5363 5.0324 C.1 1 UNL1 0.2517 24 C 2.2565 -3.1681 2.0317 C.2 1 UNL1 0.5261 25 C 4.5135 -2.5469 -0.1708 C.1 1 UNL1 0.3211 26 C 0.6181 -1.4568 -2.1397 C.1 1 UNL1 0.1074 27 C 4.8015 -0.6184 -3.5975 C.1 1 UNL1 0.2945 28 C -4.4603 -2.6781 0.4576 C.1 1 UNL1 0.1473 29 C -0.7297 -1.4005 -2.2003 C.1 1 UNL1 -0.1198 30 C -5.2043 -1.3733 -2.7084 C.2 1 UNL1 0.5244 31 C -0.0943 2.4691 0.2158 C.ar 1 UNL1 -0.0085 32 C 1.1588 3.1204 0.3751 C.ar 1 UNL1 0.1528 33 C -1.3342 3.1483 0.3806 C.ar 1 UNL1 0.1584 34 C 1.0895 4.4583 0.7082 C.ar 1 UNL1 -0.0314 35 C -1.2309 4.4847 0.7134 C.ar 1 UNL1 -0.0377 36 C -0.0638 5.0698 0.8671 C.ar 1 UNL1 0.0374 @BOND 1 27 15 3 2 30 18 2 3 15 5 1 4 29 26 1 5 29 17 3 6 26 14 3 7 17 6 1 8 6 18 1 9 6 9 1 10 14 5 1 11 18 16 1 12 5 8 1 13 5 13 1 14 9 21 3 15 8 20 3 16 13 25 3 17 16 28 3 18 21 3 1 19 20 2 1 20 1 31 1 21 1 19 1 22 31 32 ar 23 31 33 ar 24 2 32 1 25 3 33 1 26 32 34 ar 27 33 35 ar 28 34 36 ar 29 35 36 ar 30 19 7 3 31 7 4 1 32 24 12 2 33 12 10 1 34 12 4 1 35 22 10 2 36 10 4 1 37 4 11 1 38 11 23 3