@MOLECULE (2e)-n-hydroxy-3-nitroso-2-buten-2-amine 16 15 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.8608 -0.1432 0.2133 O.3 1 UNL1 -0.1393 2 O 2.8790 0.3156 0.0319 O.2 1 UNL1 0.0501 3 N -1.6394 -0.6917 -0.2272 N.4 1 UNL1 -0.7581 4 N 1.7503 0.7023 0.0137 N.2 1 UNL1 -0.3194 5 C -0.5714 0.2181 -0.0372 C.2 1 UNL1 0.6052 6 C 0.7064 -0.2649 0.0024 C.2 1 UNL1 0.0653 7 C -0.9281 1.6627 -0.0315 C.3 1 UNL1 -1.0174 8 C 1.0262 -1.7197 0.0204 C.3 1 UNL1 -0.9177 9 H -1.4168 1.9607 -0.9723 H 1 UNL1 0.2878 10 H -0.0440 2.3147 0.0875 H 1 UNL1 0.2987 11 H -1.6210 1.9057 0.7909 H 1 UNL1 0.3059 12 H 0.5997 -2.2296 0.8948 H 1 UNL1 0.2695 13 H 0.6671 -2.2296 -0.8858 H 1 UNL1 0.2679 14 H 2.1157 -1.8952 0.0609 H 1 UNL1 0.2893 15 H -1.5822 -1.5712 0.2877 H 1 UNL1 0.4373 16 H -3.3276 0.0955 -0.6421 H 1 UNL1 0.2748 @BOND 1 9 7 1 2 13 8 1 3 16 1 1 4 3 5 1 5 3 1 1 6 3 15 1 7 5 7 1 8 5 6 2 9 7 10 1 10 7 11 1 11 6 4 1 12 6 8 1 13 4 2 2 14 8 14 1 15 8 12 1