@MOLECULE valeryl chloride 16 15 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.9655 -0.1125 0.0008 C.3 1 UNL111111111 -0.4389 2 C 2.6592 0.6802 0.0018 C.3 1 UNL111111111 -0.2482 3 C 1.4554 -0.2692 -0.0040 C.3 1 UNL111111111 -0.2573 4 C 0.1434 0.5248 -0.0005 C.3 1 UNL111111111 -0.3621 5 C -1.0149 -0.3981 0.0002 C.2 1 UNL111111111 0.5029 6 O -1.0814 -1.5792 0.0013 O.2 1 UNL111111111 -0.3343 7 CL -2.5620 0.5042 0.0001 Cl 1 UNL111111111 -0.2644 8 H 4.8356 0.5541 -0.0016 H 1 UNL111111111 0.1436 9 H 4.0490 -0.7548 0.8852 H 1 UNL111111111 0.1465 10 H 4.0456 -0.7569 -0.8825 H 1 UNL111111111 0.1466 11 H 2.6220 1.3423 0.8882 H 1 UNL111111111 0.1369 12 H 2.6249 1.3497 -0.8791 H 1 UNL111111111 0.1369 13 H 1.4993 -0.9360 -0.8886 H 1 UNL111111111 0.1540 14 H 1.4985 -0.9436 0.8747 H 1 UNL111111111 0.1541 15 H 0.1043 1.2037 0.8837 H 1 UNL111111111 0.1919 16 H 0.1015 1.2071 -0.8820 H 1 UNL111111111 0.1919 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 1 8 1 8 1 9 1 9 1 10 1 10 2 11 1 11 2 12 1 12 3 13 1 13 3 14 1 14 4 15 1 15 4 16 1