@MOLECULE 1-c-(carboxymethyl)-d-mannopyranose 30 30 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1978 0.5403 -0.3777 O.3 1 UNL1111111111 -0.0091 2 O 0.5329 -0.6974 1.5234 O.3 1 UNL1111111111 -0.5177 3 O -0.3199 -2.0461 -1.6140 O.3 1 UNL1111111111 -0.4211 4 O -2.1095 -1.2933 1.4727 O.3 1 UNL1111111111 -0.3356 5 O -3.4274 0.5330 -0.1376 O.3 1 UNL1111111111 -0.4440 6 O -0.3809 3.3395 0.0191 O.3 1 UNL1111111111 -0.3417 7 O 3.9853 0.1345 -0.7186 O.3 1 UNL1111111111 -0.4334 8 O 2.8652 0.5958 1.1510 O.2 1 UNL1111111111 -0.3791 9 C 0.5385 -0.7218 0.1215 C.3 1 UNL1111111111 0.1175 10 C -0.4916 -1.8296 -0.2325 C.3 1 UNL1111111111 -0.2986 11 C -1.9190 -1.3425 0.0795 C.3 1 UNL1111111111 -0.5547 12 C -2.1599 0.0627 -0.5102 C.3 1 UNL1111111111 -0.0447 13 C -1.0819 1.0341 0.0061 C.3 1 UNL1111111111 -0.1499 14 C 1.9389 -0.9785 -0.4526 C.3 1 UNL1111111111 -0.4561 15 C -1.1604 2.3996 -0.6856 C.3 1 UNL1111111111 -0.5417 16 C 2.9214 -0.0039 0.1027 C.2 1 UNL1111111111 0.3610 17 H -0.2601 -2.7648 0.3273 H 1 UNL1111111111 0.2871 18 H -2.6977 -2.0584 -0.2641 H 1 UNL1111111111 0.3339 19 H -2.1942 0.0369 -1.6226 H 1 UNL1111111111 0.2783 20 H -1.1141 1.1464 1.1123 H 1 UNL1111111111 0.1806 21 H 2.2628 -2.0200 -0.2331 H 1 UNL1111111111 0.2710 22 H 1.8941 -0.9215 -1.5707 H 1 UNL1111111111 0.3276 23 H -2.1876 2.8143 -0.6394 H 1 UNL1111111111 0.3377 24 H -0.8144 2.3527 -1.7340 H 1 UNL1111111111 0.2339 25 H 1.2145 -0.0627 1.8726 H 1 UNL1111111111 0.4028 26 H -0.9036 -2.7706 -1.9241 H 1 UNL1111111111 0.3706 27 H -1.2891 -0.9597 1.9157 H 1 UNL1111111111 0.3986 28 H -3.6001 0.3275 0.8129 H 1 UNL1111111111 0.3769 29 H 0.5351 3.0026 0.1186 H 1 UNL1111111111 0.2943 30 H 4.6753 0.7608 -0.3755 H 1 UNL1111111111 0.3557 @BOND 1 1 9 1 2 1 13 1 3 2 9 1 4 2 25 1 5 3 10 1 6 3 26 1 7 4 11 1 8 4 27 1 9 5 12 1 10 5 28 1 11 6 15 1 12 6 29 1 13 7 16 1 14 7 30 1 15 8 16 2 16 9 10 1 17 9 14 1 18 10 11 1 19 10 17 1 20 11 12 1 21 11 18 1 22 12 13 1 23 12 19 1 24 13 15 1 25 13 20 1 26 14 16 1 27 14 21 1 28 14 22 1 29 15 23 1 30 15 24 1