@MOLECULE 2-(2,2'-bioxir-2-yl)-11-hydroxy-5-methyl-4h-naphtho[2,3-h]chromene-4,7,12-trione 43 48 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.8949 2.2196 1.2245 O.3 1 UNL1 -0.2420 2 O 4.0835 3.1838 -1.1026 O.3 1 UNL1 -0.2946 3 O 1.4591 0.1851 0.1946 O.2 1 UNL1 -0.1608 4 O 3.0483 -3.5648 0.0283 O.2 1 UNL1 -0.4610 5 O -0.4901 1.7476 0.1841 O.2 1 UNL1 -0.4823 6 O -3.8459 -2.3958 -0.2383 O.2 1 UNL1 -0.3976 7 O -2.5230 3.4077 0.2749 O.3 1 UNL1 -0.4612 8 C 3.5010 1.2682 0.3525 C.3 1 UNL1 0.0643 9 C 3.9648 1.7683 -0.9789 C.3 1 UNL1 -0.0307 10 C 4.1556 1.6824 1.6296 C.3 1 UNL1 -0.1322 11 C 3.0161 2.5512 -1.8181 C.3 1 UNL1 -0.1260 12 C 2.8051 -0.0416 0.2548 C.ar 1 UNL1 0.2321 13 C 3.3820 -1.2504 0.1965 C.ar 1 UNL1 -0.4198 14 C 0.6321 -0.8968 0.0807 C.ar 1 UNL1 0.2899 15 C 1.1102 -2.2149 0.0117 C.ar 1 UNL1 -0.3073 16 C 2.5645 -2.4561 0.0728 C.ar 1 UNL1 0.5056 17 C -0.7376 -0.5871 0.0340 C.ar 1 UNL1 -0.2459 18 C 0.1969 -3.2706 -0.1041 C.ar 1 UNL1 0.2058 19 C -1.6207 -1.6671 -0.0780 C.ar 1 UNL1 -0.0017 20 C -1.1728 -2.9772 -0.1426 C.ar 1 UNL1 -0.2277 21 C -1.2478 0.7955 0.1037 C.2 1 UNL1 0.5234 22 C -3.0944 -1.4548 -0.1314 C.2 1 UNL1 0.4305 23 C -2.7036 1.0077 0.0676 C.ar 1 UNL1 -0.3102 24 C -3.6010 -0.0677 -0.0535 C.ar 1 UNL1 -0.0394 25 C 0.6289 -4.6841 -0.1780 C.3 1 UNL1 -0.4715 26 C -3.2548 2.2958 0.1469 C.ar 1 UNL1 0.3709 27 C -4.9686 0.1280 -0.1066 C.ar 1 UNL1 -0.1731 28 C -4.6526 2.5108 0.0934 C.ar 1 UNL1 -0.2420 29 C -5.4977 1.4313 -0.0356 C.ar 1 UNL1 -0.0629 30 H 4.7870 1.1970 -1.4245 H 1 UNL1 0.1694 31 H 4.1313 1.0407 2.5092 H 1 UNL1 0.1615 32 H 4.9869 2.3868 1.6167 H 1 UNL1 0.1670 33 H 3.1077 2.5718 -2.9008 H 1 UNL1 0.1527 34 H 2.0115 2.7721 -1.4505 H 1 UNL1 0.1751 35 H 4.4599 -1.4004 0.2391 H 1 UNL1 0.2052 36 H -1.9013 -3.7902 -0.2194 H 1 UNL1 0.1929 37 H -0.2024 -5.3977 -0.2547 H 1 UNL1 0.1609 38 H 1.2991 -4.8579 -1.0405 H 1 UNL1 0.1905 39 H 1.2327 -4.9714 0.7040 H 1 UNL1 0.1926 40 H -5.6405 -0.7273 -0.2066 H 1 UNL1 0.1797 41 H -5.0256 3.5327 0.1570 H 1 UNL1 0.1813 42 H -6.5774 1.5706 -0.0844 H 1 UNL1 0.1570 43 H -1.5295 3.1893 0.3182 H 1 UNL1 0.3814 @BOND 1 33 11 1 2 11 34 1 3 11 2 1 4 11 9 1 5 30 9 1 6 2 9 1 7 38 25 1 8 9 8 1 9 37 25 1 10 6 22 2 11 36 20 1 12 40 27 1 13 25 18 1 14 25 39 1 15 20 18 ar 16 20 19 ar 17 22 19 1 18 22 24 1 19 27 24 ar 20 27 29 ar 21 18 15 ar 22 42 29 1 23 19 17 ar 24 24 23 ar 25 29 28 ar 26 15 16 ar 27 15 14 ar 28 4 16 2 29 17 14 ar 30 17 21 1 31 23 21 1 32 23 26 ar 33 16 13 ar 34 14 3 ar 35 28 26 ar 36 28 41 1 37 21 5 2 38 26 7 1 39 3 12 ar 40 13 35 1 41 13 12 ar 42 12 8 1 43 7 43 1 44 8 1 1 45 8 10 1 46 1 10 1 47 32 10 1 48 10 31 1