@MOLECULE (1r,2s,3r,4r,6r)-4-amino-6-(hydroxymethyl)-1,2,3-cyclohexanetriol 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.0866 -2.2879 0.3405 O.3 1 UNL1111111111 -0.5627 2 O 1.6340 -2.1668 -0.4543 O.3 1 UNL1111111111 -0.5707 3 O 2.9012 0.1965 0.4671 O.3 1 UNL1111111111 -0.5648 4 O -3.4865 1.0188 0.1810 O.3 1 UNL1111111111 -0.5483 5 N 1.3934 2.7383 -0.1889 N.3 1 UNL1111111111 -0.6590 6 C -1.2678 0.0481 0.2123 C.3 1 UNL1111111111 -0.1901 7 C -0.4684 -1.1721 -0.2704 C.3 1 UNL1111111111 0.1198 8 C 0.8315 1.4563 0.2595 C.3 1 UNL1111111111 0.0155 9 C -0.6052 1.3353 -0.2807 C.3 1 UNL1111111111 -0.3004 10 C 0.9957 -1.0906 0.2069 C.3 1 UNL1111111111 0.0705 11 C 1.6586 0.2314 -0.2151 C.3 1 UNL1111111111 0.0262 12 C -2.7089 -0.0512 -0.3135 C.3 1 UNL1111111111 0.0019 13 H -1.2962 0.0401 1.3297 H 1 UNL1111111111 0.1590 14 H -0.5196 -1.3098 -1.3733 H 1 UNL1111111111 0.1378 15 H 0.8181 1.4684 1.3821 H 1 UNL1111111111 0.1601 16 H -0.6153 1.3880 -1.3847 H 1 UNL1111111111 0.1475 17 H -1.2012 2.2159 0.0476 H 1 UNL1111111111 0.1831 18 H 1.0822 -1.2542 1.3051 H 1 UNL1111111111 0.1520 19 H 1.8516 0.2527 -1.3078 H 1 UNL1111111111 0.1331 20 H -3.1776 -1.0123 -0.0298 H 1 UNL1111111111 0.1362 21 H -2.7729 0.0825 -1.4087 H 1 UNL1111111111 0.1400 22 H 1.4662 2.8156 -1.1874 H 1 UNL1111111111 0.2546 23 H 2.2716 2.9580 0.2435 H 1 UNL1111111111 0.2545 24 H -0.5360 -3.0898 0.1953 H 1 UNL1111111111 0.3371 25 H 2.5979 -2.1475 -0.2642 H 1 UNL1111111111 0.3391 26 H 3.4596 0.9555 0.2205 H 1 UNL1111111111 0.3168 27 H -3.5479 0.9815 1.1549 H 1 UNL1111111111 0.3112 @BOND 1 1 7 1 2 1 24 1 3 2 10 1 4 2 25 1 5 3 11 1 6 3 26 1 7 4 12 1 8 4 27 1 9 5 8 1 10 5 22 1 11 5 23 1 12 6 7 1 13 6 9 1 14 6 12 1 15 6 13 1 16 7 10 1 17 7 14 1 18 8 9 1 19 8 11 1 20 8 15 1 21 9 16 1 22 9 17 1 23 10 11 1 24 10 18 1 25 11 19 1 26 12 20 1 27 12 21 1