@MOLECULE (2r,3s,4r,5s)-2,3,4,5-tetrahydroxycyclohexanone 21 21 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.1520 1.2697 0.5999 O.3 1 UNL1111111111 -0.5627 2 O 0.2447 2.4325 -0.3868 O.3 1 UNL1111111111 -0.5607 3 O -2.5118 -1.3894 -0.3271 O.3 1 UNL1111111111 -0.5512 4 O 2.5497 0.7930 0.0982 O.3 1 UNL1111111111 -0.5445 5 O 2.0569 -1.8212 0.4096 O.2 1 UNL1111111111 -0.4265 6 C -1.1695 0.5976 -0.1605 C.3 1 UNL1111111111 0.0536 7 C 0.2203 1.1498 0.2036 C.3 1 UNL1111111111 0.0711 8 C -1.3295 -0.8814 0.2567 C.3 1 UNL1111111111 0.1481 9 C 1.3386 0.2820 -0.4034 C.3 1 UNL1111111111 -0.0230 10 C -0.2123 -1.7646 -0.3090 C.3 1 UNL1111111111 -0.4240 11 C 1.1413 -1.1862 -0.0486 C.2 1 UNL1111111111 0.4225 12 H -1.3974 0.7503 -1.2399 H 1 UNL1111111111 0.1548 13 H 0.3483 1.2701 1.3029 H 1 UNL1111111111 0.1529 14 H -1.4187 -0.9725 1.3636 H 1 UNL1111111111 0.1437 15 H 1.3957 0.4186 -1.5119 H 1 UNL1111111111 0.1740 16 H -0.3712 -1.9160 -1.4017 H 1 UNL1111111111 0.1997 17 H -0.2974 -2.7906 0.1171 H 1 UNL1111111111 0.1988 18 H -2.0562 2.2424 0.4798 H 1 UNL1111111111 0.3438 19 H 1.1461 2.8210 -0.3042 H 1 UNL1111111111 0.3439 20 H -3.2719 -0.8103 -0.0891 H 1 UNL1111111111 0.3382 21 H 3.0810 0.0785 0.5292 H 1 UNL1111111111 0.3473 @BOND 1 1 6 1 2 1 18 1 3 2 7 1 4 2 19 1 5 3 8 1 6 3 20 1 7 4 9 1 8 4 21 1 9 5 11 2 10 6 7 1 11 6 8 1 12 6 12 1 13 7 9 1 14 7 13 1 15 8 10 1 16 8 14 1 17 9 11 1 18 9 15 1 19 10 11 1 20 10 16 1 21 10 17 1