@MOLECULE d-tagatosonic acid 23 22 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3763 1.3162 -0.4554 O.3 1 UNL1111111111 -0.5824 2 O 2.0233 0.3815 1.4234 O.3 1 UNL1111111111 -0.5445 3 O -0.0966 -2.1984 0.3603 O.3 1 UNL1111111111 -0.4930 4 O 4.3602 0.1389 -0.1719 O.3 1 UNL1111111111 -0.5378 5 O -2.3361 -1.4611 -0.9628 O.2 1 UNL1111111111 -0.3302 6 O -2.2981 1.5825 -0.6609 O.3 1 UNL1111111111 -0.5847 7 O -3.3427 0.7187 1.1273 O.2 1 UNL1111111111 -0.4031 8 C 0.6111 -0.0701 -0.4957 C.3 1 UNL1111111111 0.0630 9 C 2.0036 -0.2310 0.1557 C.3 1 UNL1111111111 0.0861 10 C -0.4364 -0.8394 0.3496 C.3 1 UNL1111111111 0.0009 11 C 3.0900 0.4118 -0.7206 C.3 1 UNL1111111111 -0.0520 12 C -1.8310 -0.6666 -0.2215 C.2 1 UNL1111111111 0.3324 13 C -2.6006 0.5760 0.2045 C.2 1 UNL1111111111 0.5337 14 H 0.6064 -0.4125 -1.5528 H 1 UNL1111111111 0.1375 15 H 2.2301 -1.3002 0.3861 H 1 UNL1111111111 0.1769 16 H -0.3727 -0.5482 1.4310 H 1 UNL1111111111 0.2027 17 H 3.1407 -0.0276 -1.7322 H 1 UNL1111111111 0.1440 18 H 2.9594 1.5071 -0.7979 H 1 UNL1111111111 0.1367 19 H -0.5282 1.5521 -0.7401 H 1 UNL1111111111 0.3496 20 H 1.6556 1.2934 1.3632 H 1 UNL1111111111 0.3323 21 H -0.3811 -2.6477 -0.4727 H 1 UNL1111111111 0.3278 22 H 4.3476 0.3191 0.7956 H 1 UNL1111111111 0.3271 23 H -2.7738 2.4359 -0.4827 H 1 UNL1111111111 0.3770 @BOND 1 1 8 1 2 1 19 1 3 2 9 1 4 2 20 1 5 3 10 1 6 3 21 1 7 4 11 1 8 4 22 1 9 5 12 2 10 6 13 1 11 6 23 1 12 7 13 2 13 8 9 1 14 8 10 1 15 8 14 1 16 9 11 1 17 9 15 1 18 10 12 1 19 10 16 1 20 11 17 1 21 11 18 1 22 12 13 1