@MOLECULE hexopyranuronic acid 23 23 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.9304 -0.5159 0.9223 O.2 1 UNL1111111111111 -0.4349 2 C 2.3277 -0.0458 0.0027 C.2 1 UNL1111111111111 0.5959 3 O 2.9042 0.8700 -0.8238 O.3 1 UNL1111111111111 -0.5807 4 C 0.9053 -0.2702 -0.4675 C.3 1 UNL1111111111111 -0.0233 5 O 0.3843 -1.2246 0.4369 O.3 1 UNL1111111111111 -0.4047 6 C -0.9508 -1.6009 0.2015 C.3 1 UNL1111111111111 0.3030 7 O -1.0574 -2.2136 -1.0539 O.3 1 UNL1111111111111 -0.5924 8 C -1.9299 -0.4065 0.1544 C.3 1 UNL1111111111111 0.0458 9 O -2.1017 0.0679 1.4611 O.3 1 UNL1111111111111 -0.5371 10 C -1.3847 0.6912 -0.7795 C.3 1 UNL1111111111111 0.0798 11 O -2.1735 1.8419 -0.7126 O.3 1 UNL1111111111111 -0.5178 12 C 0.0827 1.0334 -0.4222 C.3 1 UNL1111111111111 0.0661 13 O 0.0415 1.5721 0.8836 O.3 1 UNL1111111111111 -0.5601 14 H 3.8502 1.0666 -0.6127 H 1 UNL1111111111111 0.3652 15 H 0.9077 -0.7030 -1.5004 H 1 UNL1111111111111 0.1782 16 H -1.1380 -2.3125 1.0360 H 1 UNL1111111111111 0.1541 17 H -0.4793 -3.0001 -1.1275 H 1 UNL1111111111111 0.3412 18 H -2.9522 -0.7313 -0.1487 H 1 UNL1111111111111 0.1747 19 H -1.2752 0.5333 1.7549 H 1 UNL1111111111111 0.3470 20 H -1.4642 0.3824 -1.8503 H 1 UNL1111111111111 0.1663 21 H -2.3046 2.1101 0.2304 H 1 UNL1111111111111 0.3384 22 H 0.4989 1.8135 -1.0995 H 1 UNL1111111111111 0.1610 23 H 0.9418 1.6630 1.2582 H 1 UNL1111111111111 0.3344 @BOND 1 2 1 2 2 2 3 1 3 3 14 1 4 4 2 1 5 4 15 1 6 5 4 1 7 6 5 1 8 6 16 1 9 7 6 1 10 7 17 1 11 8 10 1 12 8 6 1 13 8 9 1 14 8 18 1 15 9 19 1 16 10 12 1 17 10 20 1 18 11 10 1 19 11 21 1 20 12 4 1 21 12 13 1 22 12 22 1 23 13 23 1