@MOLECULE propanoyl chloride 10 9 0 0 0 SMALL USER_CHARGES @ATOM 1 CL -1.6111 -0.3036 -0.0008 Cl 1 UNL11111111 -0.2688 2 O 0.2215 1.4780 0.0008 O.2 1 UNL11111111 -0.3302 3 C 1.0464 -0.8163 0.0030 C.3 1 UNL11111111 -0.3343 4 C 2.4733 -0.2791 -0.0025 C.3 1 UNL11111111 -0.4265 5 C 0.0753 0.3048 0.0008 C.2 1 UNL11111111 0.5022 6 H 0.8807 -1.4735 0.8897 H 1 UNL11111111 0.1897 7 H 0.8765 -1.4819 -0.8764 H 1 UNL11111111 0.1897 8 H 2.6741 0.3371 -0.8899 H 1 UNL11111111 0.1610 9 H 2.6761 0.3503 0.8752 H 1 UNL11111111 0.1611 10 H 3.2072 -1.0948 0.0027 H 1 UNL11111111 0.1560 @BOND 1 1 5 1 2 2 5 2 3 5 3 1 4 3 6 1 5 3 7 1 6 3 4 1 7 9 4 1 8 8 4 1 9 4 10 1