@MOLECULE [(1r,2s,3r,5s,6r,8s)-3-(beta-d-galactopyranosyloxy)-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.0~2,5~.0~3,8~]dec-2-yl]methyl benzoate 34 36 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.9855 1.2606 -2.2764 O.2 1 UNL1 -0.2332 2 O -0.9302 0.7670 -1.2724 O.2 1 UNL1 -0.4097 3 O -0.4021 1.0720 3.0918 O.2 1 UNL1 -0.1704 4 O 2.8076 4.1194 0.7348 O.2 1 UNL1 -0.3351 5 O 3.1508 1.7124 2.3109 O.2 1 UNL1 -0.3622 6 O -2.2492 -0.6155 0.7748 O.2 2 UNL2 -0.0148 7 O -2.6959 2.8107 0.8962 O.2 2 UNL2 -0.2606 8 O -3.6633 2.0493 -1.7730 O.2 2 UNL2 -0.2343 9 O -0.5555 -3.4913 0.9778 O.2 1 UNL1 -0.1807 10 O -5.2110 -0.2846 -1.2603 O.2 2 UNL2 -0.3670 11 O -4.1843 -3.3315 0.4863 O.2 2 UNL2 -0.1501 12 C 1.1743 1.1101 1.1738 C.ar 1 UNL1 -0.5171 13 C 0.2890 1.0576 2.1716 C.1 1 UNL1 0.6085 14 C 1.0873 0.2944 -0.0196 C.ar 1 UNL1 -0.0103 15 C 2.0657 1.9290 -2.0008 C.ar 1 UNL1 0.0532 16 C 1.7123 -0.8436 -0.1655 C.1 1 UNL1 -0.1162 17 C 2.6963 2.9856 0.3502 C.ar 1 UNL1 0.4141 18 C 0.2567 0.7919 -1.1451 C.ar 1 UNL1 0.5949 19 C 2.7380 2.5878 -1.0243 C.ar 1 UNL1 -0.4595 20 C 2.4169 1.8817 1.3782 C.ar 1 UNL1 0.4277 21 C 3.3171 2.6250 -2.3368 C.3 1 UNL1 0.3467 22 C -1.8920 0.5624 0.9033 C.3 2 UNL2 0.0962 23 C -2.6912 1.7193 0.4017 C.2 2 UNL2 0.2072 24 C 0.5137 -3.4155 0.5550 C.1 1 UNL1 0.5379 25 C -3.5313 1.3514 -0.8141 C.2 2 UNL2 0.2404 26 C -3.4657 -0.9833 0.1270 C.2 2 UNL2 -0.4704 27 C -4.1746 -0.0300 -0.7033 C.2 2 UNL2 0.3927 28 C 1.7492 -3.3372 0.0649 C.ar 1 UNL1 -0.2795 29 C -3.8509 -2.2429 0.3222 C.1 2 UNL2 0.5567 30 C 2.3739 -1.9657 -0.3026 C.ar 1 UNL1 0.1741 31 C 2.6173 -4.4159 -0.1680 C.ar 1 UNL1 -0.0348 32 C 3.6896 -2.1540 -0.7888 C.ar 1 UNL1 -0.1248 33 C 3.7881 -4.3960 -0.6167 C.ar 1 UNL1 0.0015 34 C 4.3671 -3.1957 -0.9462 C.ar 1 UNL1 0.0790 @BOND 1 21 15 1 2 21 19 1 3 1 15 ar 4 1 18 ar 5 15 19 ar 6 8 25 2 7 2 18 2 8 10 27 2 9 18 14 ar 10 19 17 ar 11 34 32 ar 12 34 33 ar 13 25 27 1 14 25 23 1 15 32 30 ar 16 27 26 1 17 33 31 ar 18 30 16 2 19 30 28 ar 20 31 28 ar 21 16 14 2 22 14 12 ar 23 28 24 2 24 26 29 2 25 26 6 1 26 29 11 2 27 17 4 2 28 17 20 ar 29 23 7 2 30 23 22 1 31 24 9 2 32 6 22 1 33 12 20 ar 34 12 13 2 35 20 5 2 36 13 3 2