@MOLECULE methyl 6-amino-6-deoxy-beta-d-galactopyranoside 28 28 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1417 1.1878 -0.0250 O.3 1 UNL1111111111 -0.4846 2 O 1.1378 -0.8965 -1.5320 O.3 1 UNL1111111111 -0.5130 3 O -0.2812 -2.8854 -0.2270 O.3 1 UNL1111111111 -0.5150 4 O -2.4363 -1.2341 0.8260 O.3 1 UNL1111111111 -0.5595 5 O -2.0704 1.4243 -0.3992 O.3 1 UNL1111111111 -0.4061 6 N 3.6276 0.6875 0.7390 N.3 1 UNL1111111111 -0.6452 7 C 1.1283 -0.9908 -0.1330 C.3 1 UNL1111111111 0.0762 8 C -0.1766 -1.6256 0.3926 C.3 1 UNL1111111111 0.0647 9 C 1.2304 0.4232 0.4784 C.3 1 UNL1111111111 0.0655 10 C -1.3827 -0.7472 0.0189 C.3 1 UNL1111111111 0.0228 11 C -1.1369 0.7351 0.3904 C.3 1 UNL1111111111 0.2685 12 C 2.4707 1.1882 -0.0315 C.3 1 UNL1111111111 -0.1237 13 C -1.9847 2.8370 -0.3045 C.3 1 UNL1111111111 -0.1777 14 H 2.0076 -1.6350 0.0879 H 1 UNL1111111111 0.1705 15 H -0.1326 -1.7869 1.4955 H 1 UNL1111111111 0.1420 16 H 1.2040 0.4071 1.5886 H 1 UNL1111111111 0.1460 17 H -1.6553 -0.8601 -1.0544 H 1 UNL1111111111 0.1598 18 H -1.2693 0.9632 1.4667 H 1 UNL1111111111 0.1256 19 H 2.3258 2.2750 0.1504 H 1 UNL1111111111 0.1494 20 H 2.5777 1.0555 -1.1304 H 1 UNL1111111111 0.1442 21 H 0.4749 -0.2298 -1.8289 H 1 UNL1111111111 0.3215 22 H -1.1571 -3.2804 -0.0133 H 1 UNL1111111111 0.3218 23 H -3.2793 -0.7902 0.5917 H 1 UNL1111111111 0.3324 24 H 4.3354 1.3907 0.8582 H 1 UNL1111111111 0.2514 25 H 4.0415 -0.1240 0.3084 H 1 UNL1111111111 0.2538 26 H -2.8119 3.1742 -0.9417 H 1 UNL1111111111 0.1454 27 H -1.0262 3.1904 -0.7006 H 1 UNL1111111111 0.1415 28 H -2.1266 3.1687 0.7277 H 1 UNL1111111111 0.1220 @BOND 1 1 9 1 2 1 11 1 3 2 7 1 4 2 21 1 5 3 8 1 6 3 22 1 7 4 10 1 8 4 23 1 9 5 11 1 10 5 13 1 11 6 12 1 12 6 24 1 13 6 25 1 14 7 8 1 15 7 9 1 16 7 14 1 17 8 10 1 18 8 15 1 19 9 12 1 20 9 16 1 21 10 11 1 22 10 17 1 23 11 18 1 24 12 19 1 25 12 20 1 26 13 26 1 27 13 27 1 28 13 28 1