@MOLECULE glucosaminate 26 25 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.5867 1.6118 1.0421 O.3 1 UNL1111111111 -0.2998 2 O 1.0815 1.4630 1.2514 O.3 1 UNL1111111111 -0.3726 3 O -2.9047 0.5072 -1.2297 O.3 1 UNL1111111111 -0.4790 4 O -3.1789 -2.0082 0.0451 O.3 1 UNL1111111111 -0.3022 5 O 2.1319 -1.8895 0.5622 O.3 1 UNL1111111111 -0.4290 6 OXT 3.7247 -0.5124 -0.1952 O.2 1 UNL1111111111 -0.2955 7 N 1.8239 1.1610 -1.4202 N.3 1 UNL1111111111 -0.8788 8 C -0.8840 0.9947 -0.0195 C.3 1 UNL1111111111 -0.8461 9 C 0.4635 0.4483 0.5022 C.3 1 UNL1111111111 0.1346 10 C -1.8362 -0.0990 -0.5360 C.3 1 UNL1111111111 0.3397 11 CA 1.3780 -0.0190 -0.6648 C.3 1 UNL1111111111 0.1144 12 C -2.4189 -0.9561 0.5993 C.3 1 UNL1111111111 -0.7714 13 C 2.5599 -0.7857 -0.0901 C.2 1 UNL1111111111 0.0830 14 H -0.7245 1.7775 -0.8006 H 1 UNL1111111111 0.2986 15 H 0.3220 -0.3633 1.2564 H 1 UNL1111111111 0.2159 16 H -1.3668 -0.7320 -1.3229 H 1 UNL1111111111 0.1439 17 HA 0.7904 -0.7122 -1.3285 H 1 UNL1111111111 0.2439 18 H -1.6437 -1.4751 1.1896 H 1 UNL1111111111 0.3843 19 H -3.0613 -0.3628 1.2756 H 1 UNL1111111111 0.2887 20 H -0.9548 2.0015 1.6899 H 1 UNL1111111111 0.3352 21 H 1.3349 2.2196 0.6710 H 1 UNL1111111111 0.3197 22 H1 1.8993 0.9769 -2.4097 H 1 UNL1111111111 0.3467 23 H2 2.7183 1.5067 -1.0900 H 1 UNL1111111111 0.3676 24 H -3.3139 1.2110 -0.6773 H 1 UNL1111111111 0.3703 25 H -3.7919 -1.6501 -0.6351 H 1 UNL1111111111 0.2913 26 H 2.8597 -2.4183 0.9795 H 1 UNL1111111111 0.3964 @BOND 1 1 8 1 2 1 20 1 3 2 9 1 4 2 21 1 5 3 10 1 6 3 24 1 7 4 12 1 8 4 25 1 9 5 13 1 10 5 26 1 11 6 13 2 12 7 11 1 13 7 22 1 14 7 23 1 15 8 9 1 16 8 10 1 17 8 14 1 18 9 11 1 19 9 15 1 20 10 12 1 21 10 16 1 22 11 13 1 23 11 17 1 24 12 18 1 25 12 19 1