@MOLECULE (4s)-4-chloropentanoic acid 17 16 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.4990 -1.5698 -0.0778 C.3 1 UNL11111111 -0.4780 2 C -1.5200 -0.4856 -0.4694 C.3 1 UNL11111111 0.0326 3 C -0.1276 -0.7217 0.0935 C.3 1 UNL11111111 -0.2869 4 C 0.8610 0.3606 -0.3483 C.3 1 UNL11111111 -0.3927 5 C 2.2623 -0.0508 0.0075 C.2 1 UNL11111111 0.6286 6 O 2.6257 -1.1284 0.3847 O.2 1 UNL11111111 -0.4286 7 O 3.2139 0.9171 -0.1322 O.3 1 UNL11111111 -0.5484 8 CL -2.1342 1.0665 0.2193 Cl 1 UNL11111111 -0.2227 9 H -2.2120 -2.5413 -0.5047 H 1 UNL11111111 0.1636 10 H -3.5182 -1.3543 -0.4308 H 1 UNL11111111 0.1667 11 H -2.5637 -1.7027 1.0122 H 1 UNL11111111 0.1693 12 H -1.5090 -0.3110 -1.5663 H 1 UNL11111111 0.1473 13 H 0.2379 -1.7240 -0.2297 H 1 UNL11111111 0.1767 14 H -0.1515 -0.7832 1.2035 H 1 UNL11111111 0.1727 15 H 0.6062 1.3324 0.1287 H 1 UNL11111111 0.1843 16 H 0.7890 0.5339 -1.4432 H 1 UNL11111111 0.1760 17 H 2.8899 1.7928 -0.4258 H 1 UNL11111111 0.3396 @BOND 1 12 2 1 2 16 4 1 3 9 1 1 4 2 1 1 5 2 3 1 6 2 8 1 7 10 1 1 8 17 7 1 9 4 5 1 10 4 3 1 11 4 15 1 12 13 3 1 13 7 5 1 14 1 11 1 15 5 6 2 16 3 14 1