@MOLECULE n,n-diethyl-n-(3-phenoxybenzyl)ethanaminium 21 24 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.5767 1.3089 -0.8706 O.2 1 UNL1 -0.2028 2 N -1.8563 -1.3751 -0.0761 N.ar 1 UNL1 0.1622 3 C -3.0892 0.6332 0.2283 C.ar 1 UNL1 0.0574 4 C -1.8058 -2.6773 -0.1624 C.1 1 UNL1 -0.6721 5 C -3.1309 -0.7514 0.0902 C.ar 1 UNL1 -0.4221 6 C -0.7082 -0.5719 -0.0875 C.ar 1 UNL1 0.0441 7 C -2.0622 1.5036 0.2202 C.ar 1 UNL1 -0.0510 8 C -1.6961 -3.9355 -0.2743 C.1 1 UNL1 0.2877 9 C -4.3054 -1.4468 0.0894 C.2 1 UNL1 0.5715 10 C 0.5078 -1.1671 -0.0295 C.ar 1 UNL1 0.0116 11 C -0.7574 0.8753 -0.0788 C.3 1 UNL1 -0.0794 12 C -2.0318 2.8896 0.3882 C.ar 1 UNL1 0.0244 13 C 0.3983 1.6907 -0.2801 C.ar 1 UNL1 0.1594 14 C -0.9246 3.5775 0.2648 C.ar 1 UNL1 -0.0123 15 C 0.2432 3.0418 -0.0453 C.ar 1 UNL1 0.0015 16 C 2.3502 0.3790 -0.2505 C.ar 1 UNL1 0.1698 17 C 3.6996 0.5963 -0.0775 C.ar 1 UNL1 -0.0390 18 C 1.8551 -0.9707 0.0481 C.ar 1 UNL1 -0.0528 19 C 4.5547 -0.3439 0.2794 C.ar 1 UNL1 0.0208 20 C 2.8441 -1.8789 0.4076 C.ar 1 UNL1 0.0337 21 C 4.1231 -1.5837 0.5181 C.ar 1 UNL1 -0.0126 @BOND 1 1 13 ar 2 1 16 ar 3 13 11 1 4 13 15 ar 5 8 4 3 6 16 17 ar 7 16 18 ar 8 4 2 1 9 6 11 1 10 6 2 ar 11 6 10 ar 12 11 7 1 13 17 19 ar 14 2 5 ar 15 15 14 ar 16 10 18 ar 17 18 20 ar 18 9 5 2 19 5 3 ar 20 7 3 ar 21 7 12 ar 22 14 12 ar 23 19 21 ar 24 20 21 ar