@MOLECULE 2-methylpropanoic propanoic anhydride 22 21 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.8727 0.3763 0.1055 C.3 1 UNL111111111 -0.4236 2 C 2.4927 0.9390 -0.2094 C.3 1 UNL111111111 -0.3263 3 C 1.4718 -0.1572 -0.1774 C.2 1 UNL111111111 0.6400 4 O 1.6190 -1.3412 -0.1694 O.2 1 UNL111111111 -0.4288 5 O 0.2173 0.4163 -0.2510 O.3 1 UNL111111111 -0.5705 6 C -0.9145 -0.2088 0.2261 C.2 1 UNL111111111 0.6283 7 O -0.8591 -1.0481 1.0727 O.2 1 UNL111111111 -0.4351 8 C -2.1230 0.4173 -0.4304 C.3 1 UNL111111111 -0.1342 9 C -3.0910 -0.7033 -0.8059 C.3 1 UNL111111111 -0.4438 10 C -2.7439 1.3963 0.5665 C.3 1 UNL111111111 -0.4418 11 H 4.6415 1.1565 0.0683 H 1 UNL111111111 0.1484 12 H 3.9064 -0.0767 1.1062 H 1 UNL111111111 0.1592 13 H 4.1607 -0.4105 -0.6059 H 1 UNL111111111 0.1615 14 H 2.2162 1.7408 0.5095 H 1 UNL111111111 0.1772 15 H 2.4783 1.4275 -1.2084 H 1 UNL111111111 0.1769 16 H -1.8117 0.9722 -1.3528 H 1 UNL111111111 0.1689 17 H -3.3811 -1.2974 0.0730 H 1 UNL111111111 0.1666 18 H -4.0089 -0.3025 -1.2508 H 1 UNL111111111 0.1532 19 H -2.6470 -1.3965 -1.5314 H 1 UNL111111111 0.1552 20 H -2.0452 2.2001 0.8314 H 1 UNL111111111 0.1530 21 H -3.6423 1.8670 0.1491 H 1 UNL111111111 0.1543 22 H -3.0416 0.8944 1.4975 H 1 UNL111111111 0.1614 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 3 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 8 10 1 10 1 11 1 11 1 12 1 12 1 13 1 13 2 14 1 14 2 15 1 15 8 16 1 16 9 17 1 17 9 18 1 18 9 19 1 19 10 20 1 20 10 21 1 21 10 22 1