@MOLECULE (1r,3r)-1,3-cyclohexanediol 20 20 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.6631 1.0210 0.8391 O.3 1 UNL1111111111 -0.5647 2 O 2.4945 0.4207 0.0272 O.3 1 UNL1111111111 -0.5763 3 C -1.2237 0.6909 -0.4702 C.3 1 UNL1111111111 0.1716 4 C 1.1189 0.2090 0.3032 C.3 1 UNL1111111111 0.1850 5 C 0.2566 1.0528 -0.6489 C.3 1 UNL1111111111 -0.4058 6 C -1.4829 -0.8169 -0.6024 C.3 1 UNL1111111111 -0.2949 7 C 0.9033 -1.2909 0.0652 C.3 1 UNL1111111111 -0.3000 8 C -0.5672 -1.6269 0.3222 C.3 1 UNL1111111111 -0.2537 9 H -1.8580 1.2655 -1.1838 H 1 UNL1111111111 0.1077 10 H 0.9316 0.4831 1.3636 H 1 UNL1111111111 0.1197 11 H 0.5695 0.8665 -1.6944 H 1 UNL1111111111 0.1659 12 H 0.4203 2.1284 -0.4716 H 1 UNL1111111111 0.1390 13 H -1.3412 -1.1243 -1.6544 H 1 UNL1111111111 0.1415 14 H -2.5424 -1.0239 -0.3502 H 1 UNL1111111111 0.1529 15 H 1.5681 -1.8742 0.7290 H 1 UNL1111111111 0.1508 16 H 1.2032 -1.5600 -0.9645 H 1 UNL1111111111 0.1524 17 H -0.8271 -1.4064 1.3782 H 1 UNL1111111111 0.1534 18 H -0.7432 -2.7090 0.1830 H 1 UNL1111111111 0.1338 19 H -1.4574 1.9483 1.0530 H 1 UNL1111111111 0.3097 20 H 2.7378 1.3547 0.1460 H 1 UNL1111111111 0.3119 @BOND 1 1 3 1 2 1 19 1 3 2 4 1 4 2 20 1 5 3 5 1 6 3 6 1 7 3 9 1 8 4 5 1 9 4 7 1 10 4 10 1 11 5 11 1 12 5 12 1 13 6 8 1 14 6 13 1 15 6 14 1 16 7 8 1 17 7 15 1 18 7 16 1 19 8 17 1 20 8 18 1