@MOLECULE 6h-benzo(d)naphtho(1,2-b)pyran-6-one, 4-(6-deoxy-3-c-methyl-beta-gulopyranosyl)-1-hydroxy-10,12-dimethoxy-8-methyl- 64 68 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.3897 -0.4138 1.2243 O.3 1 UNL1 -0.4305 2 O -3.0107 2.7085 0.0684 O.3 1 UNL1 -0.5917 3 O -2.0787 0.8505 -1.9439 O.3 1 UNL1 -0.5486 4 O -5.8082 0.4914 -0.0056 O.3 1 UNL1 -0.5446 5 O 0.0188 0.9500 -0.2455 O.2 1 UNL1 -0.3974 6 O 2.4556 -3.8908 -0.7585 O.3 1 UNL1 -0.3247 7 O 0.2573 -5.0047 -0.3707 O.3 1 UNL1 -0.4412 8 O 4.7578 -0.2445 0.5442 O.3 1 UNL1 -0.2965 9 O 0.0020 3.0762 -0.6651 O.2 1 UNL1 -0.4317 10 C -3.8381 1.7605 -0.5714 C.3 1 UNL1 0.2372 11 C -3.0141 0.5052 -0.9580 C.3 1 UNL1 0.0499 12 C -4.8566 1.3745 0.5386 C.3 1 UNL1 0.0641 13 C -2.3442 -0.0561 0.3198 C.3 1 UNL1 0.0587 14 C -4.1035 0.7208 1.7154 C.3 1 UNL1 0.0850 15 C -1.6059 -1.3343 0.0486 C.ar 1 UNL1 -0.0813 16 C -4.5093 2.3878 -1.7809 C.3 1 UNL1 -0.4895 17 C -5.0480 0.1376 2.7576 C.3 1 UNL1 -0.4643 18 C -0.1956 -1.3909 -0.1298 C.ar 1 UNL1 0.0205 19 C -2.3590 -2.4913 0.0171 C.ar 1 UNL1 -0.0488 20 C 0.4358 -2.6540 -0.2714 C.ar 1 UNL1 -0.1142 21 C 0.6689 -0.2488 -0.1685 C.ar 1 UNL1 0.1891 22 C 2.0524 -0.3174 -0.1617 C.ar 1 UNL1 -0.0569 23 C -1.7586 -3.7498 -0.1519 C.ar 1 UNL1 -0.3237 24 C -0.3866 -3.8161 -0.2722 C.ar 1 UNL1 0.3000 25 C 1.8545 -2.7063 -0.4120 C.ar 1 UNL1 0.2130 26 C 2.6479 -1.5902 -0.3292 C.ar 1 UNL1 -0.2071 27 C 2.8144 0.9070 -0.0151 C.ar 1 UNL1 -0.0346 28 C 2.1537 2.1305 -0.1652 C.ar 1 UNL1 -0.1130 29 C 0.7109 2.1449 -0.3907 C.ar 1 UNL1 0.6067 30 C 4.1910 0.9656 0.3153 C.ar 1 UNL1 0.2364 31 C 2.8173 3.3562 -0.0773 C.ar 1 UNL1 -0.1795 32 C 4.1810 3.3806 0.1979 C.ar 1 UNL1 0.0931 33 C 4.8660 2.1783 0.4097 C.ar 1 UNL1 -0.2936 34 C 2.9460 -4.6098 0.3702 C.3 1 UNL1 -0.1887 35 C 4.9166 4.6721 0.2855 C.3 1 UNL1 -0.4585 36 C 6.1013 -0.2677 1.0085 C.3 1 UNL1 -0.2072 37 H -3.6572 -0.2531 -1.4566 H 1 UNL1 0.1521 38 H -5.4554 2.2527 0.8573 H 1 UNL1 0.1585 39 H -1.7111 0.7136 0.8238 H 1 UNL1 0.1659 40 H -3.3827 1.4422 2.1650 H 1 UNL1 0.1462 41 H -4.8241 3.4157 -1.5636 H 1 UNL1 0.1583 42 H -3.8259 2.4248 -2.6407 H 1 UNL1 0.1691 43 H -5.3996 1.8205 -2.0818 H 1 UNL1 0.1659 44 H -5.8437 -0.4613 2.2952 H 1 UNL1 0.1614 45 H -4.5052 -0.5203 3.4492 H 1 UNL1 0.1594 46 H -5.5275 0.9291 3.3430 H 1 UNL1 0.1523 47 H -2.1926 2.8767 -0.4512 H 1 UNL1 0.3514 48 H -1.2030 1.0133 -1.5486 H 1 UNL1 0.3320 49 H -5.4354 -0.4168 -0.0493 H 1 UNL1 0.3215 50 H -3.4445 -2.4439 0.1428 H 1 UNL1 0.1673 51 H -2.3745 -4.6422 -0.1724 H 1 UNL1 0.1642 52 H 3.7271 -1.6940 -0.4444 H 1 UNL1 0.1903 53 H 2.2598 4.2841 -0.2222 H 1 UNL1 0.1834 54 H -0.3785 -5.7608 -0.4448 H 1 UNL1 0.3207 55 H 5.9255 2.2102 0.6476 H 1 UNL1 0.1677 56 H 3.3312 -5.5295 -0.0862 H 1 UNL1 0.1460 57 H 2.1371 -4.8410 1.0709 H 1 UNL1 0.1377 58 H 3.7460 -4.0491 0.8613 H 1 UNL1 0.1211 59 H 5.3131 4.8399 1.2985 H 1 UNL1 0.1636 60 H 5.7727 4.6973 -0.4055 H 1 UNL1 0.1634 61 H 4.2859 5.5395 0.0423 H 1 UNL1 0.1646 62 H 6.2039 0.2786 1.9508 H 1 UNL1 0.1362 63 H 6.7857 0.1135 0.2445 H 1 UNL1 0.1359 64 H 6.2656 -1.3429 1.1695 H 1 UNL1 0.1576 @BOND 1 42 16 1 2 43 16 1 3 3 48 1 4 3 11 1 5 16 41 1 6 16 10 1 7 37 11 1 8 11 10 1 9 11 13 1 10 6 25 1 11 6 34 1 12 9 29 2 13 10 2 1 14 10 12 1 15 47 2 1 16 54 7 1 17 52 26 1 18 25 26 ar 19 25 20 ar 20 60 35 1 21 29 5 ar 22 29 28 ar 23 7 24 1 24 26 22 ar 25 24 20 ar 26 24 23 ar 27 20 18 ar 28 5 21 ar 29 53 31 1 30 51 23 1 31 21 22 ar 32 21 18 ar 33 28 31 ar 34 28 27 ar 35 22 27 ar 36 23 19 ar 37 18 15 ar 38 56 34 1 39 31 32 ar 40 49 4 1 41 27 30 ar 42 4 12 1 43 19 15 ar 44 19 50 1 45 61 35 1 46 15 13 1 47 32 35 1 48 32 33 ar 49 63 36 1 50 35 59 1 51 30 33 ar 52 30 8 1 53 13 39 1 54 13 1 1 55 34 58 1 56 34 57 1 57 33 55 1 58 12 38 1 59 12 14 1 60 8 36 1 61 36 64 1 62 36 62 1 63 1 14 1 64 14 40 1 65 14 17 1 66 44 17 1 67 17 46 1 68 17 45 1