@MOLECULE 6-o-alpha-d-galactopyranosyl-d-gluconic acid 46 46 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.2741 0.4218 1.3380 O.3 1 UNL1111111111 -0.4763 2 O -0.6687 -1.1550 0.7749 O.3 1 UNL1111111111 -0.4398 3 O -2.6531 -0.4883 -2.6927 O.3 1 UNL1111111111 -0.5135 4 O -3.7814 1.3679 -0.9483 O.3 1 UNL1111111111 -0.5441 5 O -2.2962 -2.5881 -0.7054 O.3 1 UNL1111111111 -0.5126 6 O -1.5078 3.0850 2.1450 O.3 1 UNL1111111111 -0.5366 7 O 1.1696 -3.2348 1.7277 O.3 1 UNL1111111111 -0.5422 8 O 1.0159 -2.3728 -0.8103 O.3 1 UNL1111111111 -0.5669 9 O 2.2993 -0.2733 -1.8356 O.3 1 UNL1111111111 -0.5545 10 O 4.3211 -0.0709 0.0207 O.3 1 UNL1111111111 -0.5090 11 O 2.0332 2.6389 0.0120 O.3 1 UNL1111111111 -0.5760 12 O 3.9423 2.4362 -1.1354 O.2 1 UNL1111111111 -0.4658 13 C -2.0905 -0.2687 -1.4316 C.3 1 UNL1111111111 0.0532 14 C -2.3852 1.1720 -0.9600 C.3 1 UNL1111111111 0.0377 15 C -2.6446 -1.2680 -0.3992 C.3 1 UNL1111111111 0.0422 16 C -1.7896 1.4089 0.4338 C.3 1 UNL1111111111 0.0190 17 C -2.0331 -0.9142 0.9868 C.3 1 UNL1111111111 0.2644 18 C -2.3001 2.7286 1.0350 C.3 1 UNL1111111111 -0.0126 19 C 1.4315 -1.8659 1.5192 C.3 1 UNL1111111111 0.0848 20 C 0.1841 -1.0464 1.8977 C.3 1 UNL1111111111 -0.0850 21 C 1.9235 -1.7115 0.0585 C.3 1 UNL1111111111 0.0653 22 C 1.9545 -0.2627 -0.4661 C.3 1 UNL1111111111 0.0798 23 C 3.0836 0.5520 0.1986 C.3 1 UNL1111111111 0.0539 24 C 3.1236 1.9440 -0.4088 C.2 1 UNL1111111111 0.5995 25 H -0.9999 -0.4373 -1.6100 H 1 UNL1111111111 0.1680 26 H -2.0346 1.9182 -1.7089 H 1 UNL1111111111 0.1705 27 H -3.7543 -1.2898 -0.3700 H 1 UNL1111111111 0.1611 28 H -0.6768 1.3768 0.4232 H 1 UNL1111111111 0.1595 29 H -2.4483 -1.4815 1.8415 H 1 UNL1111111111 0.1430 30 H -2.1703 3.5750 0.3359 H 1 UNL1111111111 0.1555 31 H -3.3580 2.6596 1.3393 H 1 UNL1111111111 0.1333 32 H 2.2610 -1.6536 2.2353 H 1 UNL1111111111 0.1555 33 H -0.2915 -1.4638 2.8041 H 1 UNL1111111111 0.1408 34 H 0.4064 0.0206 2.0642 H 1 UNL1111111111 0.1373 35 H 2.9255 -2.1844 -0.0469 H 1 UNL1111111111 0.1515 36 H 0.9638 0.2364 -0.3606 H 1 UNL1111111111 0.1565 37 H -3.5835 -0.1678 -2.7193 H 1 UNL1111111111 0.3272 38 H -4.1839 0.9518 -0.1540 H 1 UNL1111111111 0.3245 39 H -1.3257 -2.6397 -0.8897 H 1 UNL1111111111 0.3342 40 H 2.9661 0.6087 1.3080 H 1 UNL1111111111 0.1752 41 H -1.5660 2.3918 2.8344 H 1 UNL1111111111 0.3194 42 H 0.3366 -3.4878 1.2656 H 1 UNL1111111111 0.3316 43 H 1.2443 -3.3226 -0.8725 H 1 UNL1111111111 0.3311 44 H 1.7358 -0.9262 -2.3104 H 1 UNL1111111111 0.3483 45 H 4.5383 -0.1231 -0.9486 H 1 UNL1111111111 0.3480 46 H 1.9924 3.5644 -0.3360 H 1 UNL1111111111 0.3631 @BOND 1 1 16 1 2 1 17 1 3 2 17 1 4 2 20 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 18 1 12 6 41 1 13 7 19 1 14 7 42 1 15 8 21 1 16 8 43 1 17 9 22 1 18 9 44 1 19 10 23 1 20 10 45 1 21 11 24 1 22 11 46 1 23 12 24 2 24 13 14 1 25 13 15 1 26 13 25 1 27 14 16 1 28 14 26 1 29 15 17 1 30 15 27 1 31 16 18 1 32 16 28 1 33 17 29 1 34 18 30 1 35 18 31 1 36 19 20 1 37 19 21 1 38 19 32 1 39 20 33 1 40 20 34 1 41 21 22 1 42 21 35 1 43 22 23 1 44 22 36 1 45 23 24 1 46 23 40 1