@MOLECULE butyryl chloride 13 12 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.2094 -0.5472 0.0041 C.3 1 UNL111111111 -0.4394 2 C 1.9815 0.3581 -0.0033 C.3 1 UNL111111111 -0.2343 3 C 0.6949 -0.4782 -0.0038 C.3 1 UNL111111111 -0.3604 4 C -0.4943 0.4038 -0.0004 C.2 1 UNL111111111 0.5014 5 O -0.6012 1.5820 0.0016 O.2 1 UNL111111111 -0.3353 6 CL -2.0094 -0.5506 0.0007 Cl 1 UNL111111111 -0.2639 7 H 4.1344 0.0435 0.0072 H 1 UNL111111111 0.1504 8 H 3.2365 -1.1929 0.8895 H 1 UNL111111111 0.1470 9 H 3.2440 -1.1945 -0.8799 H 1 UNL111111111 0.1469 10 H 1.9985 1.0350 0.8750 H 1 UNL111111111 0.1516 11 H 2.0036 1.0247 -0.8892 H 1 UNL111111111 0.1513 12 H 0.6782 -1.1585 -0.8875 H 1 UNL111111111 0.1922 13 H 0.6795 -1.1633 0.8762 H 1 UNL111111111 0.1923 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 2 5 4 6 1 6 1 7 1 7 1 8 1 8 1 9 1 9 2 10 1 10 2 11 1 11 3 12 1 12 3 13 1