@MOLECULE 1-[(z)-methyl-nno-azoxy]octane 12 11 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.0722 -1.3914 0.0193 O.3 1 UNL1 -0.3005 2 N -3.3804 -0.3980 0.0057 N.4 1 UNL1 0.7806 3 N -4.0917 0.7824 0.0059 N.1 1 UNL1 -0.6322 4 C 1.7166 -0.0902 -0.0218 C.1 1 UNL1 0.5626 5 C 2.9954 -0.0150 -0.0162 C.1 1 UNL1 -0.5985 6 C 0.4447 -0.1611 -0.0225 C.1 1 UNL1 -0.5276 7 C 4.2684 0.0611 -0.0042 C.1 1 UNL1 0.6043 8 C -0.8348 -0.2339 -0.0167 C.1 1 UNL1 0.5350 9 C 5.5482 0.1396 0.0117 C.1 1 UNL1 -0.7948 10 C -2.0999 -0.3044 -0.0074 C.1 1 UNL1 -0.5584 11 C 6.8297 0.2182 0.0306 C.1 1 UNL1 0.4570 12 C -4.7302 1.7909 0.0072 C.1 1 UNL1 0.4726 @BOND 1 6 4 3 2 6 8 1 3 4 5 1 4 8 10 3 5 5 7 3 6 10 2 1 7 7 9 1 8 2 3 1 9 2 1 1 10 3 12 3 11 9 11 3