@MOLECULE 1-cyanopropene 10 9 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N -2.0631 -0.5603 -0.0000 N.1 1 UNL1 -0.2630 2 C 1.6547 -0.9106 0.0000 C.3 1 UNL1 -0.4692 3 C 1.2693 0.5219 0.0000 C.2 1 UNL1 -0.0095 4 C 0.0055 0.9729 -0.0000 C.2 1 UNL1 -0.2375 5 C -1.1282 0.1239 0.0000 C.1 1 UNL1 0.1347 6 H 2.2628 -1.1613 0.8844 H 1 UNL1 0.1698 7 H 0.7952 -1.5987 0.0007 H 1 UNL1 0.1706 8 H 2.2615 -1.1615 -0.8853 H 1 UNL1 0.1698 9 H 2.1095 1.2238 -0.0000 H 1 UNL1 0.1509 10 H -0.2227 2.0455 -0.0001 H 1 UNL1 0.1832 @BOND 1 8 2 1 2 10 4 1 3 3 4 2 4 3 9 1 5 3 2 1 6 4 5 1 7 5 1 3 8 2 7 1 9 2 6 1