@MOLECULE 4-methyl-2-oxo-2h-chromen-7-yl 6-deoxy-d-galactopyranoside 41 43 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.9042 -0.9361 -0.6412 O.3 1 UNL1 -0.4170 2 O -1.0012 1.0246 0.2309 O.3 1 UNL1 -0.4002 3 O -3.8999 1.2901 1.3231 O.3 1 UNL1 -0.5439 4 O -4.9964 -1.1872 1.1716 O.3 1 UNL1 -0.5548 5 O -3.5603 1.2602 -2.1596 O.3 1 UNL1 -0.5456 6 O 2.9756 -1.5172 -0.1606 O.2 1 UNL1 -0.3677 7 O 4.7541 -2.7615 -0.3518 O.2 1 UNL1 -0.4144 8 C -4.1637 0.7522 0.0450 C.3 1 UNL1 0.0836 9 C -4.2010 -0.7841 0.0704 C.3 1 UNL1 0.0284 10 C -3.0271 1.2807 -0.8507 C.3 1 UNL1 0.0535 11 C -2.8041 -1.3594 0.3786 C.3 1 UNL1 0.1320 12 C -1.7405 0.4216 -0.8332 C.3 1 UNL1 0.2730 13 C -2.8055 -2.8777 0.2659 C.3 1 UNL1 -0.4636 14 C 0.3481 0.8814 0.2061 C.ar 1 UNL1 0.3327 15 C 0.9864 -0.3253 -0.0242 C.ar 1 UNL1 -0.3646 16 C 1.0536 2.0750 0.4838 C.ar 1 UNL1 -0.2981 17 C 3.1267 0.8569 0.2401 C.ar 1 UNL1 -0.2771 18 C 2.3889 -0.3221 0.0252 C.ar 1 UNL1 0.3478 19 C 2.4306 2.0530 0.4918 C.ar 1 UNL1 -0.0170 20 C 4.5641 0.7792 0.1656 C.ar 1 UNL1 0.2190 21 C 5.1543 -0.4205 -0.0455 C.ar 1 UNL1 -0.4223 22 C 5.3647 2.0260 0.2933 C.3 1 UNL1 -0.4724 23 C 4.3840 -1.6325 -0.1915 C.ar 1 UNL1 0.6068 24 H -5.1426 1.1769 -0.2791 H 1 UNL1 0.1480 25 H -4.6049 -1.1906 -0.8812 H 1 UNL1 0.1463 26 H -2.7879 2.3354 -0.5548 H 1 UNL1 0.1666 27 H -2.4247 -1.0039 1.3617 H 1 UNL1 0.1506 28 H -1.1626 0.4567 -1.7847 H 1 UNL1 0.1442 29 H -3.4992 -3.3061 0.9996 H 1 UNL1 0.1670 30 H -3.1131 -3.2206 -0.7314 H 1 UNL1 0.1579 31 H -1.8055 -3.2871 0.4483 H 1 UNL1 0.1657 32 H -4.1351 0.6319 2.0238 H 1 UNL1 0.3404 33 H -5.9445 -1.1820 0.9318 H 1 UNL1 0.3242 34 H -2.9158 1.6180 -2.8070 H 1 UNL1 0.3221 35 H 0.4369 -1.2448 -0.2245 H 1 UNL1 0.2125 36 H 0.4929 2.9847 0.6818 H 1 UNL1 0.1791 37 H 2.9870 2.9712 0.6892 H 1 UNL1 0.1526 38 H 6.2318 -0.5458 -0.1239 H 1 UNL1 0.1942 39 H 5.0835 2.7644 -0.4750 H 1 UNL1 0.1704 40 H 6.4440 1.8492 0.1836 H 1 UNL1 0.1673 41 H 5.2198 2.5002 1.2775 H 1 UNL1 0.1722 @BOND 1 34 5 1 2 5 10 1 3 28 12 1 4 25 9 1 5 10 12 1 6 10 26 1 7 10 8 1 8 12 1 1 9 12 2 1 10 30 13 1 11 1 11 1 12 39 22 1 13 7 23 2 14 24 8 1 15 35 15 1 16 23 6 ar 17 23 21 ar 18 6 18 ar 19 38 21 1 20 21 20 ar 21 15 18 ar 22 15 14 ar 23 18 17 ar 24 8 9 1 25 8 3 1 26 9 11 1 27 9 4 1 28 20 17 ar 29 20 22 1 30 40 22 1 31 14 2 1 32 14 16 ar 33 17 19 ar 34 13 11 1 35 13 31 1 36 13 29 1 37 22 41 1 38 11 27 1 39 16 19 ar 40 16 36 1 41 19 37 1 42 33 4 1 43 3 32 1