@MOLECULE {[2-(2-{[(4-{[ammonio(imino)methyl]amino}butyl)amino]methyl}-4-methoxyphenoxy)ethyl]amino}(imino)methanaminium 25 23 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.8148 -0.2226 0.7409 C.ar 1 UNL1 0.1221 2 C -3.0547 -0.8089 0.8237 C.ar 1 UNL1 -0.0249 3 C -4.1309 -0.3348 0.2241 C.ar 1 UNL1 0.0349 4 C -4.0469 0.7763 -0.5171 C.ar 1 UNL1 0.0198 5 C -2.9004 1.3989 -0.6474 C.ar 1 UNL1 -0.0236 6 C -1.6861 1.0006 -0.0602 C.ar 1 UNL1 -0.0287 7 O -0.7940 -0.8445 1.4479 O.3 1 UNL1 -0.0537 8 C 0.7312 -0.8070 -2.6999 C.1 1 UNL1 -0.1878 9 C 1.5743 -0.1957 -3.6165 C.3 1 UNL1 0.3697 10 N 0.0312 -1.3328 -1.9167 N.1 1 UNL1 -0.1817 11 C 2.5505 -3.1185 -0.2064 C.1 2 UNL2 0.1398 12 N 3.0177 -2.5748 -1.2107 N.1 2 UNL2 -0.0989 13 N 2.0715 -3.6597 0.8039 N.pl3 2 UNL2 -0.0412 14 C -0.5125 1.6494 -0.1961 C.3 1 UNL1 0.0546 15 N 0.2857 2.5636 -0.6054 N.1 1 UNL1 -0.4456 16 C 1.1055 3.3916 -0.9310 C.1 1 UNL1 0.4346 17 C 0.3958 -0.3652 1.2514 C.1 1 UNL1 0.2636 18 C 1.5665 -0.0332 1.1711 C.1 1 UNL1 -0.2654 19 C 2.8741 0.3776 1.0600 C.2 1 UNL1 0.3415 20 N 3.4314 1.5027 0.4623 N.2 1 UNL1 -0.2764 21 C 4.7629 1.0317 0.9465 C.cat 1 UNL1 0.2447 22 N 5.9231 1.4830 0.9587 N.pl3 1 UNL1 -0.1470 23 N 4.0808 -0.2076 1.4291 N.pl3 1 UNL1 -0.2504 24 O -7.2460 -0.1319 0.4242 O.2 3 UNL3 -0.4410 25 C -8.2158 -0.5383 0.8634 C.2 3 UNL3 0.4411 @BOND 1 9 8 1 2 8 10 3 3 12 11 3 4 16 15 3 5 5 4 ar 6 5 6 ar 7 15 14 1 8 4 3 ar 9 11 13 1 10 14 6 1 11 6 1 ar 12 3 2 ar 13 24 25 2 14 20 21 2 15 20 19 2 16 1 2 ar 17 1 7 1 18 21 22 1 19 21 23 1 20 19 18 1 21 19 23 1 22 18 17 3 23 17 7 1