@MOLECULE (2r,3s,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl alpha-d-galactopyranoside 45 46 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.2540 -0.5297 -0.0770 O.3 1 UNL1111111111 -0.4880 2 O 1.8755 0.7404 -1.0642 O.3 1 UNL1111111111 -0.4293 3 O -1.0224 2.1707 -0.0018 O.3 1 UNL1111111111 -0.5695 4 O -1.5339 -2.2440 0.6925 O.3 1 UNL1111111111 -0.5345 5 O -3.4155 1.8922 1.5180 O.3 1 UNL1111111111 -0.5733 6 O -3.6064 -0.7026 -1.7707 O.3 1 UNL1111111111 -0.5560 7 O -5.1666 -0.0145 0.3719 O.3 1 UNL1111111111 -0.5609 8 O 1.6010 -2.8328 -0.3527 O.3 1 UNL1111111111 -0.5527 9 O 3.9000 -2.0033 1.2488 O.3 1 UNL1111111111 -0.5648 10 O 4.5400 0.2474 -0.1050 O.3 1 UNL1111111111 -0.5401 11 O 2.0098 3.4479 -0.5646 O.3 1 UNL1111111111 -0.5487 12 C -1.0408 -0.1875 -0.5385 C.3 1 UNL1111111111 0.0190 13 C -1.5080 0.9171 0.4282 C.3 1 UNL1111111111 0.0653 14 C -1.8500 -1.4988 -0.4577 C.3 1 UNL1111111111 0.0848 15 C -3.0358 1.1116 0.4018 C.3 1 UNL1111111111 0.0754 16 C -3.3690 -1.2338 -0.4839 C.3 1 UNL1111111111 0.0725 17 C -3.7849 -0.2169 0.5939 C.3 1 UNL1111111111 0.0636 18 C 1.2975 -0.5261 -1.0265 C.3 1 UNL1111111111 0.2791 19 C 2.2658 -1.6051 -0.4896 C.3 1 UNL1111111111 0.0401 20 C 2.8236 -1.1672 0.8732 C.3 1 UNL1111111111 0.0495 21 C 3.4341 0.2454 0.7704 C.3 1 UNL1111111111 0.0710 22 C 2.4054 1.2154 0.1694 C.3 1 UNL1111111111 0.0402 23 C 3.0479 2.5512 -0.2336 C.3 1 UNL1111111111 -0.0069 24 H -1.0355 0.2012 -1.5831 H 1 UNL1111111111 0.1672 25 H -1.1357 0.7394 1.4626 H 1 UNL1111111111 0.1427 26 H -1.5644 -2.1920 -1.2868 H 1 UNL1111111111 0.1701 27 H -3.3569 1.6376 -0.5278 H 1 UNL1111111111 0.1629 28 H -3.9457 -2.1811 -0.3751 H 1 UNL1111111111 0.1563 29 H -3.6542 -0.6175 1.6237 H 1 UNL1111111111 0.1447 30 H 0.9502 -0.6940 -2.0658 H 1 UNL1111111111 0.1489 31 H 3.0819 -1.8148 -1.2193 H 1 UNL1111111111 0.1760 32 H 2.0493 -1.2273 1.6709 H 1 UNL1111111111 0.1437 33 H 3.7915 0.5946 1.7669 H 1 UNL1111111111 0.1432 34 H 1.5559 1.3697 0.8745 H 1 UNL1111111111 0.1430 35 H 3.7503 2.4288 -1.0789 H 1 UNL1111111111 0.1518 36 H 3.5630 3.0343 0.6165 H 1 UNL1111111111 0.1518 37 H -0.0460 2.1537 -0.1399 H 1 UNL1111111111 0.3481 38 H -1.4380 -1.6648 1.4780 H 1 UNL1111111111 0.3205 39 H -2.9222 2.7442 1.5077 H 1 UNL1111111111 0.3456 40 H -4.5381 -0.3814 -1.8200 H 1 UNL1111111111 0.3456 41 H -5.4741 0.7561 0.9039 H 1 UNL1111111111 0.3445 42 H 0.7003 -2.7032 0.0463 H 1 UNL1111111111 0.3510 43 H 3.6645 -2.9431 1.0705 H 1 UNL1111111111 0.3433 44 H 5.1246 -0.5170 0.1166 H 1 UNL1111111111 0.3395 45 H 1.6693 3.2564 -1.4640 H 1 UNL1111111111 0.3237 @BOND 1 1 12 1 2 1 18 1 3 2 18 1 4 2 22 1 5 3 13 1 6 3 37 1 7 4 14 1 8 4 38 1 9 5 15 1 10 5 39 1 11 6 16 1 12 6 40 1 13 7 17 1 14 7 41 1 15 8 19 1 16 8 42 1 17 9 20 1 18 9 43 1 19 10 21 1 20 10 44 1 21 11 23 1 22 11 45 1 23 12 13 1 24 12 14 1 25 12 24 1 26 13 15 1 27 13 25 1 28 14 16 1 29 14 26 1 30 15 17 1 31 15 27 1 32 16 17 1 33 16 28 1 34 17 29 1 35 18 19 1 36 18 30 1 37 19 20 1 38 19 31 1 39 20 21 1 40 20 32 1 41 21 22 1 42 21 33 1 43 22 23 1 44 22 34 1 45 23 35 1 46 23 36 1