@MOLECULE 2,2,-dimethylsuccinate 20 19 0 0 0 SMALL USER_CHARGES @ATOM 1 O 0.5826 1.4019 1.0683 O.3 1 UNL11111111 -0.5738 2 O 2.1058 1.2243 -0.5460 O.2 1 UNL11111111 -0.4936 3 O -2.9105 -0.1328 0.4613 O.3 1 UNL11111111 -0.5718 4 O -1.5489 0.7498 -1.0620 O.2 1 UNL11111111 -0.5055 5 C 0.7264 -0.7231 0.0175 C.3 1 UNL11111111 0.0557 6 C -0.6948 -0.8472 0.5887 C.3 1 UNL11111111 -0.3587 7 C 1.6886 -1.5613 0.8710 C.3 1 UNL11111111 -0.4595 8 C 0.7835 -1.1690 -1.4436 C.3 1 UNL11111111 -0.4635 9 C 1.2281 0.7102 0.0914 C.2 1 UNL11111111 0.6261 10 C -1.6878 0.0169 -0.1197 C.2 1 UNL11111111 0.6594 11 H -0.6984 -0.5802 1.6747 H 1 UNL11111111 0.2012 12 H -1.0313 -1.9073 0.5535 H 1 UNL11111111 0.1859 13 H 2.7222 -1.4775 0.5068 H 1 UNL11111111 0.1657 14 H 1.4235 -2.6245 0.8416 H 1 UNL11111111 0.1575 15 H 1.6856 -1.2468 1.9220 H 1 UNL11111111 0.1577 16 H 1.8001 -1.0726 -1.8522 H 1 UNL11111111 0.1697 17 H 0.1349 -0.5515 -2.0848 H 1 UNL11111111 0.1793 18 H 0.4736 -2.2118 -1.5626 H 1 UNL11111111 0.1520 19 H 0.8602 2.3490 1.1302 H 1 UNL11111111 0.3587 20 H -3.6141 0.4272 0.0515 H 1 UNL11111111 0.3576 @BOND 1 17 8 1 2 16 8 1 3 18 8 1 4 8 5 1 5 4 10 2 6 2 9 2 7 10 3 1 8 10 6 1 9 5 9 1 10 5 6 1 11 5 7 1 12 20 3 1 13 9 1 1 14 13 7 1 15 12 6 1 16 6 11 1 17 14 7 1 18 7 15 1 19 1 19 1