@MOLECULE N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methyl-cyclohexyl]benzamide 38 39 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.8847 2.5476 -0.0161 C.3 1 UNL1111 -0.4368 2 C -1.4841 1.2468 0.5171 C.3 1 UNL1111 -0.1532 3 C -2.9895 1.2183 0.1909 C.3 1 UNL1111 0.1149 4 O -3.0885 1.2918 -1.2176 O.3 1 UNL1111 -0.5513 5 C -3.6347 -0.0950 0.6810 C.3 1 UNL1111 0.0586 6 O -4.9794 -0.0156 0.2474 O.3 1 UNL1111 -0.5695 7 C -2.9388 -1.2967 0.0148 C.3 1 UNL1111 0.1140 8 O -3.5764 -2.4183 0.6047 O.3 1 UNL1111 -0.5835 9 C -1.4461 -1.2996 0.3400 C.3 1 UNL1111 -0.3799 10 C -0.7932 0.0187 -0.1358 C.3 1 UNL1111 0.1079 11 N 0.6251 -0.0089 0.2399 N.am 1 UNL1111 -0.6211 12 C 1.6135 -0.1168 -0.7199 C.2 1 UNL1111 0.5799 13 O 1.3433 -0.2370 -1.8968 O.2 1 UNL1111 -0.5088 14 C 3.0105 -0.1027 -0.2021 C.ar 1 UNL1111 -0.1319 15 C 3.8929 -1.0748 -0.6720 C.ar 1 UNL1111 -0.0947 16 C 5.2090 -1.0880 -0.2146 C.ar 1 UNL1111 -0.1571 17 C 5.6391 -0.1261 0.6983 C.ar 1 UNL1111 -0.1220 18 C 4.7577 0.8557 1.1502 C.ar 1 UNL1111 -0.1555 19 C 3.4396 0.8705 0.6994 C.ar 1 UNL1111 -0.1297 20 H -1.0472 2.6372 -1.1024 H 1 UNL1111 0.1740 21 H -1.3425 3.4251 0.4515 H 1 UNL1111 0.1418 22 H 0.1956 2.6002 0.1536 H 1 UNL1111 0.1450 23 H -1.3581 1.2024 1.6234 H 1 UNL1111 0.1363 24 H -3.5206 2.0985 0.6167 H 1 UNL1111 0.1353 25 H -4.0171 1.1042 -1.4865 H 1 UNL1111 0.3345 26 H -3.6332 -0.1836 1.7878 H 1 UNL1111 0.1396 27 H -5.4069 -0.8955 0.3513 H 1 UNL1111 0.3418 28 H -3.1326 -1.3187 -1.0811 H 1 UNL1111 0.1437 29 H -3.1929 -3.2533 0.2786 H 1 UNL1111 0.3261 30 H -1.2938 -1.4477 1.4252 H 1 UNL1111 0.1573 31 H -0.9432 -2.1549 -0.1508 H 1 UNL1111 0.1615 32 H -0.8815 0.1040 -1.2577 H 1 UNL1111 0.1943 33 H 0.8462 0.0682 1.2170 H 1 UNL1111 0.3083 34 H 3.5511 -1.8114 -1.4019 H 1 UNL1111 0.1690 35 H 5.9016 -1.8468 -0.5747 H 1 UNL1111 0.1553 36 H 6.6679 -0.1375 1.0551 H 1 UNL1111 0.1499 37 H 5.1004 1.6129 1.8528 H 1 UNL1111 0.1530 38 H 2.7571 1.6473 1.0407 H 1 UNL1111 0.1529 @BOND 1 1 2 1 2 1 20 1 3 1 21 1 4 1 22 1 5 2 10 1 6 2 23 1 7 3 5 1 8 3 2 1 9 3 24 1 10 4 3 1 11 4 25 1 12 5 26 1 13 6 5 1 14 6 27 1 15 7 9 1 16 7 8 1 17 7 5 1 18 7 28 1 19 8 29 1 20 9 10 1 21 9 30 1 22 9 31 1 23 10 11 1 24 10 32 1 25 11 12 am 26 11 33 1 27 12 14 1 28 13 12 2 29 14 15 ar 30 14 19 ar 31 15 16 ar 32 15 34 1 33 16 17 ar 34 16 35 1 35 17 36 1 36 18 17 ar 37 18 37 1 38 19 18 ar 39 19 38 1