@MOLECULE 9-[(2r)-2,3-dihydroxy-3-methylbutoxy]-7h-furo[3,2-g]chromen-7-one 38 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.4253 -1.1251 0.0915 O.3 1 UNL1 -0.3009 2 O 2.5370 -0.6226 1.7042 O.3 1 UNL1 -0.5647 3 O 3.4881 -1.4057 -1.7278 O.3 1 UNL1 -0.5371 4 O -1.9477 -2.7514 0.0293 O.2 1 UNL1 -0.1525 5 O 0.0447 1.5952 -0.0857 O.2 1 UNL1 -0.3608 6 O 1.0028 3.5382 -0.2131 O.2 1 UNL1 -0.4121 7 C 3.3218 -0.5087 0.5356 C.3 1 UNL1 0.3058 8 C 2.6655 -1.3695 -0.5854 C.3 1 UNL1 0.0671 9 C 1.2763 -0.8780 -1.0393 C.3 1 UNL1 -0.1147 10 C 4.6733 -1.1140 0.9197 C.3 1 UNL1 -0.4725 11 C 3.4495 0.9658 0.1566 C.3 1 UNL1 -0.5152 12 C -0.8114 -0.5685 -0.0178 C.ar 1 UNL1 0.0475 13 C -1.9352 -1.3782 0.0209 C.ar 1 UNL1 0.1380 14 C -1.0557 0.8180 -0.0223 C.ar 1 UNL1 0.2262 15 C -3.2643 -0.8608 0.0805 C.ar 1 UNL1 -0.1008 16 C -2.3601 1.3539 0.0291 C.ar 1 UNL1 -0.1876 17 C -3.4753 0.5048 0.0845 C.ar 1 UNL1 -0.0645 18 C -4.1183 -2.0322 0.1303 C.ar 1 UNL1 -0.2421 19 C -2.4876 2.7910 0.0345 C.ar 1 UNL1 0.0177 20 C -3.2940 -3.1130 0.0992 C.ar 1 UNL1 0.0267 21 C -1.3914 3.5713 -0.0298 C.ar 1 UNL1 -0.3422 22 C -0.0626 2.9965 -0.1139 C.ar 1 UNL1 0.5999 23 H 2.6181 -2.4373 -0.2668 H 1 UNL1 0.1655 24 H 0.9056 -1.4773 -1.8899 H 1 UNL1 0.1449 25 H 1.2766 0.1883 -1.3150 H 1 UNL1 0.1466 26 H 5.3125 -1.2537 0.0417 H 1 UNL1 0.1568 27 H 4.5369 -2.0919 1.4016 H 1 UNL1 0.1617 28 H 5.1990 -0.4782 1.6412 H 1 UNL1 0.1571 29 H 3.8702 1.5360 0.9976 H 1 UNL1 0.1707 30 H 4.1021 1.1230 -0.7044 H 1 UNL1 0.1441 31 H 2.4762 1.4304 -0.0529 H 1 UNL1 0.1710 32 H 1.5949 -0.4500 1.5008 H 1 UNL1 0.3325 33 H 3.7182 -0.4983 -2.0205 H 1 UNL1 0.3146 34 H -4.4826 0.9149 0.1311 H 1 UNL1 0.1650 35 H -5.1866 -2.0053 0.1833 H 1 UNL1 0.1778 36 H -3.4939 3.2140 0.0935 H 1 UNL1 0.1607 37 H -3.4220 -4.1731 0.1147 H 1 UNL1 0.1777 38 H -1.4319 4.6605 -0.0255 H 1 UNL1 0.1919 @BOND 1 33 3 1 2 24 9 1 3 3 8 1 4 25 9 1 5 9 8 1 6 9 1 1 7 30 11 1 8 8 23 1 9 8 7 1 10 6 22 2 11 22 5 ar 12 22 21 ar 13 5 14 ar 14 31 11 1 15 21 38 1 16 21 19 ar 17 14 12 ar 18 14 16 ar 19 12 13 ar 20 12 1 1 21 13 4 ar 22 13 15 ar 23 16 19 ar 24 16 17 ar 25 4 20 ar 26 19 36 1 27 26 10 1 28 15 17 ar 29 15 18 ar 30 17 34 1 31 20 37 1 32 20 18 ar 33 18 35 1 34 11 7 1 35 11 29 1 36 7 10 1 37 7 2 1 38 10 27 1 39 10 28 1 40 32 2 1