@MOLECULE 9-methoxy-7-(3,4,5-trimethoxyphenyl)-8h-[1,3]dioxolo[4,5-g]chromen-8-one 46 49 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.6004 2.2534 0.9616 O.2 1 UNL1 -0.2482 2 O 5.7226 -1.0312 -0.4479 O.3 1 UNL1 -0.3311 3 O 6.1788 1.0850 0.4878 O.3 1 UNL1 -0.3280 4 O 2.8537 -1.9596 -0.8842 O.3 1 UNL1 -0.1920 5 O 0.4220 -1.3181 -0.6185 O.2 1 UNL1 -0.4124 6 O -4.2080 1.2718 -2.1367 O.3 1 UNL1 -0.3038 7 O -4.1765 -1.2450 2.0499 O.3 1 UNL1 -0.3481 8 O -5.6581 -0.3476 -0.2004 O.3 1 UNL1 -0.3252 9 C 2.2021 0.0995 0.0208 C.ar 1 UNL1 -0.3801 10 C 2.5393 1.3404 0.5689 C.ar 1 UNL1 0.3218 11 C 3.2450 -0.7889 -0.3639 C.ar 1 UNL1 0.3044 12 C 4.5462 -0.3584 -0.1629 C.ar 1 UNL1 -0.1255 13 C -0.1588 0.7707 0.3073 C.ar 1 UNL1 -0.2559 14 C 4.8317 0.9037 0.3962 C.ar 1 UNL1 0.2870 15 C 0.7890 -0.2697 -0.1502 C.ar 1 UNL1 0.5133 16 C 3.8538 1.7944 0.7800 C.ar 1 UNL1 -0.3717 17 C -1.5889 0.4854 0.1830 C.ar 1 UNL1 0.1031 18 C 0.2868 1.9299 0.8139 C.ar 1 UNL1 0.1317 19 C 6.7700 -0.1286 -0.0436 C.3 1 UNL1 0.1583 20 C -2.2218 -0.2956 1.1532 C.ar 1 UNL1 -0.2600 21 C -2.2969 0.9831 -0.9063 C.ar 1 UNL1 -0.2713 22 C -3.6695 0.7130 -1.0263 C.ar 1 UNL1 0.2253 23 C -3.5828 -0.5576 1.0226 C.ar 1 UNL1 0.2102 24 C -4.3282 -0.0436 -0.0486 C.ar 1 UNL1 -0.0315 25 C 3.9028 -2.8477 -1.2772 C.3 1 UNL1 -0.2277 26 C -5.5282 0.8906 -2.5033 C.3 1 UNL1 -0.1910 27 C -4.6830 -2.5185 1.6533 C.3 1 UNL1 -0.1931 28 C -6.4804 0.2925 0.7771 C.3 1 UNL1 -0.2084 29 H 4.0643 2.7661 1.2094 H 1 UNL1 0.2021 30 H -0.2902 2.7758 1.1813 H 1 UNL1 0.1796 31 H 7.3453 0.1496 -0.9373 H 1 UNL1 0.1410 32 H 7.3342 -0.6035 0.7709 H 1 UNL1 0.1410 33 H -1.6671 -0.7114 1.9907 H 1 UNL1 0.1832 34 H -1.8008 1.5645 -1.6809 H 1 UNL1 0.1833 35 H 3.3359 -3.7050 -1.6655 H 1 UNL1 0.1605 36 H 4.5114 -3.1405 -0.4158 H 1 UNL1 0.1464 37 H 4.5208 -2.4012 -2.0627 H 1 UNL1 0.1469 38 H -5.6311 -0.1990 -2.5495 H 1 UNL1 0.1460 39 H -5.6247 1.3342 -3.5027 H 1 UNL1 0.1435 40 H -6.2561 1.3226 -1.8107 H 1 UNL1 0.1358 41 H -3.8653 -3.1525 1.2947 H 1 UNL1 0.1363 42 H -5.4601 -2.4151 0.8887 H 1 UNL1 0.1442 43 H -5.1002 -2.9098 2.5883 H 1 UNL1 0.1429 44 H -6.3918 1.3797 0.7036 H 1 UNL1 0.1281 45 H -6.2199 -0.0469 1.7861 H 1 UNL1 0.1476 46 H -7.4865 -0.0414 0.5013 H 1 UNL1 0.1417 @BOND 1 39 26 1 2 38 26 1 3 26 6 1 4 26 40 1 5 6 22 1 6 37 25 1 7 34 21 1 8 35 25 1 9 25 4 1 10 25 36 1 11 22 21 ar 12 22 24 ar 13 31 19 1 14 21 17 ar 15 4 11 1 16 5 15 2 17 2 12 1 18 2 19 1 19 11 12 ar 20 11 9 ar 21 8 24 1 22 8 28 1 23 12 14 ar 24 15 9 ar 25 15 13 ar 26 24 23 ar 27 19 3 1 28 19 32 1 29 9 10 ar 30 17 13 1 31 17 20 ar 32 13 18 ar 33 14 3 1 34 14 16 ar 35 46 28 1 36 10 16 ar 37 10 1 ar 38 44 28 1 39 28 45 1 40 16 29 1 41 18 1 ar 42 18 30 1 43 42 27 1 44 23 20 ar 45 23 7 1 46 20 33 1 47 41 27 1 48 27 7 1 49 27 43 1