@MOLECULE (2r,5r)-1-methyl-1,2,3,4,5,6-cyclohexanehexol 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.3300 -0.0602 1.4134 O.3 1 UNL1111111111111 -0.3761 2 O 1.5070 2.2719 -0.1101 O.3 1 UNL1111111111111 -0.4100 3 O 1.0288 -2.4912 0.1368 O.3 1 UNL1111111111111 -0.3542 4 O -1.2592 2.5009 -0.3198 O.3 1 UNL1111111111111 -0.4596 5 O -1.7361 -2.1868 -0.5250 O.3 1 UNL1111111111111 -0.4062 6 O -2.7697 0.2623 0.5450 O.3 1 UNL1111111111111 -0.3861 7 C 1.3669 -0.1023 0.0057 C.3 1 UNL1111111111111 0.4865 8 C 0.6711 1.1965 -0.4722 C.3 1 UNL1111111111111 -0.2731 9 C 0.5114 -1.3149 -0.4592 C.3 1 UNL1111111111111 -0.2919 10 C -0.7075 1.3055 0.1972 C.3 1 UNL1111111111111 -0.2402 11 C -0.9175 -1.2242 0.1115 C.3 1 UNL1111111111111 -0.1292 12 C -1.5951 0.1176 -0.2242 C.3 1 UNL1111111111111 -0.2257 13 C 2.8033 -0.1856 -0.4856 C.3 1 UNL1111111111111 -1.4152 14 H 0.5876 1.2258 -1.5888 H 1 UNL1111111111111 0.2700 15 H 0.5053 -1.4296 -1.5620 H 1 UNL1111111111111 0.2035 16 H -0.6339 1.3956 1.3049 H 1 UNL1111111111111 0.3053 17 H -0.9212 -1.4189 1.2103 H 1 UNL1111111111111 0.2341 18 H -1.8762 0.1746 -1.3038 H 1 UNL1111111111111 0.2519 19 H 2.8730 -0.2084 -1.5770 H 1 UNL1111111111111 0.3893 20 H 3.3569 0.7114 -0.1482 H 1 UNL1111111111111 0.4313 21 H 3.3326 -1.0506 -0.0767 H 1 UNL1111111111111 0.3706 22 H 1.5828 -0.9373 1.7807 H 1 UNL1111111111111 0.3270 23 H 0.9600 3.0926 -0.0289 H 1 UNL1111111111111 0.3654 24 H 1.8733 -2.7504 -0.2825 H 1 UNL1111111111111 0.3112 25 H -2.2065 2.5686 -0.0643 H 1 UNL1111111111111 0.3617 26 H -1.3628 -3.0825 -0.3856 H 1 UNL1111111111111 0.3258 27 H -3.3373 -0.5331 0.4327 H 1 UNL1111111111111 0.3341 @BOND 1 1 7 1 2 1 22 1 3 2 8 1 4 2 23 1 5 3 9 1 6 3 24 1 7 4 10 1 8 4 25 1 9 5 11 1 10 5 26 1 11 6 12 1 12 6 27 1 13 7 8 1 14 7 9 1 15 7 13 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 12 1 23 11 17 1 24 12 18 1 25 13 19 1 26 13 20 1 27 13 21 1