@MOLECULE 2,3,4,6-tetra-o-acetyl-n-(thioxomethylene)-alpha-d-galactopyranosylamine 45 45 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.5072 3.1374 1.4137 S.2 1 UNL1111111111 -0.2496 2 O -0.8301 0.3252 -1.5344 O.3 1 UNL1111111111 -0.4010 3 O 0.5674 -1.9040 0.9093 O.3 1 UNL1111111111 -0.4454 4 O 0.8585 0.8664 1.3232 O.3 1 UNL1111111111 -0.4537 5 O 2.0357 0.7509 -2.0464 O.3 1 UNL1111111111 -0.4457 6 O -3.0233 -1.3588 -0.3291 O.3 1 UNL1111111111 -0.4386 7 O 2.6023 -2.6697 0.3462 O.2 1 UNL1111111111 -0.5122 8 O 1.9875 -0.4590 2.7522 O.2 1 UNL1111111111 -0.5166 9 O 4.0053 1.4971 -1.2637 O.2 1 UNL1111111111 -0.4799 10 O -4.0440 -2.0451 -2.2129 O.2 1 UNL1111111111 -0.5045 11 N -0.7468 2.4488 -0.5895 N.2 1 UNL1111111111 -0.4741 12 C 0.6211 -1.0050 -0.1843 C.3 1 UNL1111111111 0.0369 13 C 1.4566 0.2255 0.2038 C.3 1 UNL1111111111 0.0457 14 C -0.8320 -0.5596 -0.4164 C.3 1 UNL1111111111 0.0591 15 C 1.3705 1.2823 -0.9115 C.3 1 UNL1111111111 0.0328 16 C -0.0828 1.4957 -1.4321 C.3 1 UNL1111111111 0.3404 17 C -1.7437 -1.7053 -0.8547 C.3 1 UNL1111111111 -0.0406 18 C 1.6896 -2.6643 1.1280 C.2 1 UNL1111111111 0.6608 19 C 1.1810 0.4129 2.5700 C.2 1 UNL1111111111 0.6588 20 C 3.4009 0.8813 -2.0964 C.2 1 UNL1111111111 0.6359 21 C 1.5299 -3.4196 2.3948 C.3 1 UNL1111111111 -0.5073 22 C 0.3901 1.1707 3.5744 C.3 1 UNL1111111111 -0.5115 23 C -4.1099 -1.5274 -1.1300 C.2 1 UNL1111111111 0.6345 24 C 3.9049 0.1531 -3.2877 C.3 1 UNL1111111111 -0.5063 25 C -1.5290 2.6472 0.2997 C.1 1 UNL1111111111 0.3683 26 C -5.3143 -1.0024 -0.4285 C.3 1 UNL1111111111 -0.5104 27 H 1.0534 -1.5089 -1.0818 H 1 UNL1111111111 0.1756 28 H 2.5147 -0.0486 0.4345 H 1 UNL1111111111 0.1865 29 H -1.2507 -0.0403 0.4777 H 1 UNL1111111111 0.1669 30 H 1.8319 2.2473 -0.5909 H 1 UNL1111111111 0.1857 31 H -0.0929 1.8735 -2.4978 H 1 UNL1111111111 0.1907 32 H -1.7701 -1.8219 -1.9575 H 1 UNL1111111111 0.1742 33 H -1.4683 -2.6646 -0.3784 H 1 UNL1111111111 0.1568 34 H 1.9555 -2.8290 3.2318 H 1 UNL1111111111 0.2078 35 H 2.0701 -4.3776 2.3578 H 1 UNL1111111111 0.1836 36 H 0.4771 -3.6169 2.6466 H 1 UNL1111111111 0.1841 37 H 0.3105 2.2426 3.3246 H 1 UNL1111111111 0.1971 38 H 0.8394 1.0859 4.5762 H 1 UNL1111111111 0.1872 39 H -0.6426 0.7860 3.6349 H 1 UNL1111111111 0.1940 40 H 3.1080 -0.0991 -4.0066 H 1 UNL1111111111 0.1902 41 H 4.6698 0.7437 -3.8163 H 1 UNL1111111111 0.1858 42 H 4.3784 -0.7977 -2.9815 H 1 UNL1111111111 0.1962 43 H -5.0956 -0.0827 0.1391 H 1 UNL1111111111 0.1908 44 H -6.1176 -0.7775 -1.1479 H 1 UNL1111111111 0.1861 45 H -5.7037 -1.7404 0.2903 H 1 UNL1111111111 0.1851 @BOND 1 1 25 2 2 2 14 1 3 2 16 1 4 3 12 1 5 3 18 1 6 4 13 1 7 4 19 1 8 5 15 1 9 5 20 1 10 6 17 1 11 6 23 1 12 7 18 2 13 8 19 2 14 9 20 2 15 10 23 2 16 11 16 1 17 11 25 2 18 12 13 1 19 12 14 1 20 12 27 1 21 13 15 1 22 13 28 1 23 14 17 1 24 14 29 1 25 15 16 1 26 15 30 1 27 16 31 1 28 17 32 1 29 17 33 1 30 18 21 1 31 19 22 1 32 20 24 1 33 21 34 1 34 21 35 1 35 21 36 1 36 22 37 1 37 22 38 1 38 22 39 1 39 23 26 1 40 24 40 1 41 24 41 1 42 24 42 1 43 26 43 1 44 26 44 1 45 26 45 1