@MOLECULE erythorbic acid 20 20 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.3223 -1.2871 -0.4771 O.3 1 UNL11111111 -0.4034 2 O 1.9843 1.4328 -0.0911 O.3 1 UNL11111111 -0.6056 3 O -0.5873 2.3050 -0.1473 O.2 1 UNL11111111 -0.3845 4 O 3.6386 -0.7054 0.6880 O.3 1 UNL11111111 -0.5641 5 O -3.0673 0.8239 0.5885 O.2 1 UNL11111111 -0.3747 6 O -2.3269 -2.1084 0.1144 O.2 1 UNL11111111 -0.4117 7 C 0.2596 0.0086 -0.6752 C.3 1 UNL11111111 0.0121 8 C 1.5271 0.1173 0.1845 C.3 1 UNL11111111 0.1238 9 C -0.7985 0.9933 -0.2095 C.2 1 UNL11111111 0.1756 10 C 2.5840 -0.9095 -0.2386 C.3 1 UNL11111111 -0.0527 11 C -1.9146 0.3036 0.1230 C.2 1 UNL11111111 -0.0658 12 C -1.6496 -1.1393 -0.0500 C.2 1 UNL11111111 0.5593 13 H 0.4767 0.0923 -1.7635 H 1 UNL11111111 0.1786 14 H 1.3120 0.0466 1.2761 H 1 UNL11111111 0.1576 15 H 2.1930 -1.9413 -0.1761 H 1 UNL11111111 0.1450 16 H 2.9772 -0.7114 -1.2523 H 1 UNL11111111 0.1381 17 H 2.8819 1.5624 0.2922 H 1 UNL11111111 0.3647 18 H 0.4067 2.4831 -0.1731 H 1 UNL11111111 0.3565 19 H 4.2191 -1.4891 0.7318 H 1 UNL11111111 0.3280 20 H -3.7536 0.1016 0.6591 H 1 UNL11111111 0.3233 @BOND 1 13 7 1 2 16 10 1 3 7 1 1 4 7 9 1 5 7 8 1 6 1 12 1 7 10 15 1 8 10 8 1 9 10 4 1 10 9 3 1 11 9 11 2 12 18 3 1 13 2 8 1 14 2 17 1 15 12 6 2 16 12 11 1 17 11 5 1 18 8 14 1 19 5 20 1 20 4 19 1