@MOLECULE 2,2-dimethylbutanoic acid 20 19 0 0 0 SMALL USER_CHARGES @ATOM 1 O 1.4786 -0.5474 1.0615 O.3 1 UNL11111111 -0.5686 2 O 1.5032 -0.6011 -1.1579 O.2 1 UNL11111111 -0.5157 3 C -0.3195 0.5791 -0.0019 C.3 1 UNL11111111 0.0354 4 C -1.3633 -0.2728 0.7491 C.3 1 UNL11111111 -0.2631 5 C 0.0097 1.8350 0.8150 C.3 1 UNL11111111 -0.4558 6 C -0.8072 0.9752 -1.3973 C.3 1 UNL11111111 -0.4519 7 C 0.9521 -0.2337 -0.1544 C.2 1 UNL11111111 0.6244 8 C -1.7014 -1.5792 0.0338 C.3 1 UNL11111111 -0.4411 9 H -0.9857 -0.4955 1.7692 H 1 UNL11111111 0.1546 10 H -2.2840 0.3252 0.8925 H 1 UNL11111111 0.1439 11 H -0.8778 2.4641 0.9468 H 1 UNL11111111 0.1532 12 H 0.3870 1.5782 1.8144 H 1 UNL11111111 0.1643 13 H 0.7758 2.4483 0.3258 H 1 UNL11111111 0.1538 14 H -0.0965 1.6455 -1.8974 H 1 UNL11111111 0.1571 15 H -1.7748 1.4855 -1.3503 H 1 UNL11111111 0.1510 16 H -0.9207 0.0994 -2.0507 H 1 UNL11111111 0.1634 17 H -2.3900 -2.1872 0.6324 H 1 UNL11111111 0.1455 18 H -2.1814 -1.4011 -0.9354 H 1 UNL11111111 0.1477 19 H -0.8073 -2.1877 -0.1494 H 1 UNL11111111 0.1508 20 H 2.3090 -1.0787 1.0044 H 1 UNL11111111 0.3511 @BOND 1 16 6 1 2 14 6 1 3 6 15 1 4 6 3 1 5 2 7 2 6 18 8 1 7 7 3 1 8 7 1 1 9 19 8 1 10 3 4 1 11 3 5 1 12 8 17 1 13 8 4 1 14 13 5 1 15 4 10 1 16 4 9 1 17 5 11 1 18 5 12 1 19 20 1 1