@MOLECULE n,n,n-tributylbenzenemethanaminium 20 20 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N -1.3525 -0.0247 0.5215 N.pl3 1 UNL1 0.3712 2 C -2.6228 -0.1220 0.1285 C.1 1 UNL1 -0.1900 3 C -0.8416 1.2002 0.6608 C.1 1 UNL1 -0.2056 4 C -0.6228 -1.0843 0.7543 C.1 1 UNL1 -0.4513 5 C 1.2576 -0.2717 -2.5911 C.3 2 UNL2 0.4025 6 C -3.8159 -0.2444 -0.2394 C.1 1 UNL1 0.3131 7 C -0.3114 2.3288 0.8001 C.1 1 UNL1 0.3129 8 C 0.0772 -2.1040 0.9908 C.1 1 UNL1 0.4602 9 C 2.2112 -0.8215 -1.6516 C.ar 2 UNL2 -0.2526 10 C -5.0488 -0.3558 -0.6168 C.1 1 UNL1 -0.5872 11 C 0.2411 3.4904 0.9373 C.1 1 UNL1 -0.5757 12 C 0.8165 -3.1333 1.2292 C.1 1 UNL1 -0.7282 13 C 3.0986 -1.2547 -0.7419 C.ar 2 UNL2 0.0612 14 C 1.8180 0.6143 -1.5911 C.ar 2 UNL2 -0.2675 15 C -6.2808 -0.4749 -0.9878 C.1 1 UNL1 0.4294 16 C 0.8148 4.6425 1.0712 C.1 1 UNL1 0.4465 17 C 1.5456 -4.1578 1.4740 C.1 1 UNL1 0.4055 18 C 3.6034 -0.4351 0.1730 C.ar 2 UNL2 0.0139 19 C 2.3837 1.3648 -0.6331 C.ar 2 UNL2 0.0328 20 C 3.2538 0.8471 0.2253 C.ar 2 UNL2 0.0091 @BOND 1 5 9 1 2 5 14 1 3 9 14 ar 4 9 13 ar 5 14 19 ar 6 15 10 3 7 13 18 ar 8 19 20 ar 9 10 6 1 10 6 2 3 11 2 1 1 12 18 20 ar 13 1 3 1 14 1 4 1 15 3 7 3 16 4 8 3 17 7 11 1 18 11 16 3 19 8 12 1 20 12 17 3