@MOLECULE 6-o-alpha-d-galactopyranosyl-d-gluconic acid 24 25 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.1416 -0.2788 0.4126 O.2 1 UNL1 -0.1477 2 O 0.0777 1.6339 -0.2685 O.3 1 UNL1 0.1291 3 O 4.4300 1.3911 1.2031 O.2 1 UNL1 -0.2298 4 O 4.5547 -1.1733 -0.1903 O.2 1 UNL1 -0.3518 5 O 2.5841 2.7967 -0.6560 O.2 1 UNL1 -0.2492 6 O 1.7105 -3.3090 -0.9741 O.2 1 UNL1 -0.0780 7 O -2.3943 2.6813 0.4255 O.2 1 UNL1 -0.3374 8 O -4.3417 1.0866 -1.2456 O.2 1 UNL1 -0.2359 9 O -4.6554 -1.1504 0.4543 O.2 1 UNL1 -0.2298 10 O -2.1515 -1.2082 2.0985 O.2 1 UNL1 -0.2386 11 O -0.6421 -2.3546 -0.2575 O.2 1 UNL1 -0.3968 12 O -0.9548 -0.2816 -0.9662 O.3 1 UNL1 -0.3071 13 C 3.6139 0.9215 0.4736 C.2 1 UNL1 0.2625 14 C 3.5595 -0.5455 0.0553 C.2 1 UNL1 0.3916 15 C 2.4676 1.7323 -0.1247 C.2 1 UNL1 0.2904 16 C 2.2089 -1.0444 -0.0665 C.2 1 UNL1 -0.3630 17 C 1.1794 1.0100 0.0285 C.3 1 UNL1 0.1037 18 C 1.8957 -2.2569 -0.5611 C.1 1 UNL1 0.5645 19 C -2.2945 1.6032 -0.1024 C.2 1 UNL1 0.3358 20 C -1.0636 0.9687 -0.4796 C.3 1 UNL1 -0.1338 21 C -3.5235 0.7674 -0.4385 C.2 1 UNL1 0.2616 22 C -3.6322 -0.5494 0.3295 C.2 1 UNL1 0.2435 23 C -2.3275 -1.0563 0.9273 C.2 1 UNL1 0.2304 24 C -1.2296 -1.3289 -0.0890 C.2 1 UNL1 0.4858 @BOND 1 8 21 2 2 6 18 2 3 12 20 1 4 12 24 1 5 5 15 2 6 18 16 2 7 20 2 1 8 20 19 1 9 21 19 1 10 21 22 1 11 2 17 1 12 11 24 2 13 4 14 2 14 15 17 1 15 15 13 1 16 19 7 2 17 24 23 1 18 16 14 1 19 16 1 1 20 17 1 1 21 14 13 1 22 22 9 2 23 22 23 1 24 13 3 2 25 23 10 2