@MOLECULE neostigmine 16 18 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.6528 -0.5742 -0.0343 O.3 1 UNL1 -0.2303 2 O 2.6389 1.4842 0.0411 O.2 1 UNL1 -0.3938 3 N -3.1913 -0.8362 -0.0059 N.pl3 1 UNL1 -0.2518 4 N 3.9055 -0.4729 -0.0085 N.am 1 UNL1 -0.5267 5 C -2.0387 -0.0879 0.0064 C.ar 1 UNL1 0.1609 6 C -3.8635 -1.9491 -0.0166 C.3 1 UNL1 0.5714 7 C -4.5430 -0.4197 -0.0305 C.2 1 UNL1 -0.8074 8 C -5.6295 0.2435 -0.0568 C.2 1 UNL1 0.3661 9 C -0.7528 -0.5684 -0.0188 C.ar 1 UNL1 -0.2824 10 C -1.9185 1.3070 0.0507 C.ar 1 UNL1 0.1910 11 C 0.4467 0.0645 -0.0071 C.ar 1 UNL1 0.1295 12 C -0.9084 2.1320 0.0687 C.ar 1 UNL1 -0.2243 13 C 0.2073 1.4450 0.0386 C.ar 1 UNL1 0.2506 14 C 2.7270 0.2886 0.0034 C.2 1 UNL1 0.6800 15 C 5.0798 -0.7159 -0.6650 C.3 1 UNL1 0.1856 16 C 4.6439 -1.4253 0.6347 C.3 1 UNL1 0.1817 @BOND 1 15 4 1 2 15 16 1 3 8 7 2 4 1 11 1 5 1 14 1 6 7 6 1 7 7 3 1 8 9 11 ar 9 9 5 ar 10 6 3 1 11 4 14 am 12 4 16 1 13 11 13 ar 14 3 5 1 15 14 2 2 16 5 10 ar 17 13 12 ar 18 10 12 ar