@MOLECULE [8-acetoxy-2-(3-ethyl-2-methyl-2-oxiranyl)-12-hydroxy-4,11-dioxo-8,9,10,11-tetrahydro-4h-naphtho[2,3-h]chromen-5-yl]acetic acid 59 63 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.3141 -3.1549 1.0816 O.3 1 UNL1 -0.3413 2 O -1.8994 -0.9932 0.0810 O.2 1 UNL1 -0.2129 3 O 4.8665 0.4807 0.6927 O.3 1 UNL1 -0.4313 4 O -4.2598 2.2051 0.8995 O.2 1 UNL1 -0.4807 5 O 0.2330 -2.0580 -0.3136 O.3 1 UNL1 -0.4556 6 O 2.5198 -3.1026 -0.7492 O.2 1 UNL1 -0.5538 7 O -3.5681 5.4663 -0.4671 O.3 1 UNL1 -0.5684 8 O -3.0454 3.6703 -1.6813 O.2 1 UNL1 -0.4968 9 O 6.7269 1.5875 0.0902 O.2 1 UNL1 -0.5119 10 C -3.5863 -2.5540 0.0098 C.3 1 UNL1 0.1263 11 C -2.9431 -3.5466 0.9324 C.3 1 UNL1 0.0350 12 C -2.6791 -4.9669 0.5129 C.3 1 UNL1 -0.2772 13 C -3.2594 -1.1163 0.2099 C.ar 1 UNL1 0.2275 14 C -4.0393 -2.8751 -1.3816 C.3 1 UNL1 -0.4497 15 C -4.0800 -0.0897 0.4609 C.ar 1 UNL1 -0.3854 16 C -1.2637 -5.0727 -0.0530 C.3 1 UNL1 -0.4297 17 C -1.3513 0.2475 0.1494 C.ar 1 UNL1 0.3258 18 C -2.0977 1.3919 0.3911 C.ar 1 UNL1 -0.3204 19 C 0.0578 0.2662 -0.0436 C.ar 1 UNL1 -0.2465 20 C -3.5503 1.2677 0.6072 C.ar 1 UNL1 0.5224 21 C 0.7003 1.5258 0.0054 C.ar 1 UNL1 0.1891 22 C 2.8517 0.4845 -0.4281 C.ar 1 UNL1 0.1247 23 C 4.3428 0.6106 -0.6366 C.3 1 UNL1 0.1099 24 C 2.2461 -0.7952 -0.4848 C.ar 1 UNL1 -0.4097 25 C -1.4278 2.6426 0.4058 C.ar 1 UNL1 0.1910 26 C 0.8635 -0.8910 -0.2868 C.ar 1 UNL1 0.4518 27 C 4.9076 -0.5140 -1.5062 C.3 1 UNL1 -0.3025 28 C 2.1094 1.6088 -0.1859 C.ar 1 UNL1 -0.2935 29 C -0.0628 2.6986 0.2308 C.ar 1 UNL1 -0.2986 30 C 4.5227 -1.8748 -0.9363 C.3 1 UNL1 -0.3582 31 C 3.0396 -1.9924 -0.7283 C.2 1 UNL1 0.5469 32 C -2.1892 3.9149 0.5991 C.3 1 UNL1 -0.3745 33 C -2.9558 4.2627 -0.6410 C.2 1 UNL1 0.6730 34 C 6.0897 1.0199 0.9384 C.2 1 UNL1 0.6286 35 C 6.4568 0.7804 2.3606 C.3 1 UNL1 -0.5128 36 H -2.2897 -3.1753 1.7333 H 1 UNL1 0.1609 37 H -3.4234 -5.3142 -0.2306 H 1 UNL1 0.1523 38 H -2.8022 -5.6449 1.3829 H 1 UNL1 0.1532 39 H -4.5824 -3.8309 -1.4209 H 1 UNL1 0.1682 40 H -4.7224 -2.1093 -1.7792 H 1 UNL1 0.1692 41 H -3.1840 -2.9488 -2.0700 H 1 UNL1 0.1699 42 H -5.1575 -0.2105 0.5738 H 1 UNL1 0.2092 43 H -1.1134 -4.3760 -0.8882 H 1 UNL1 0.1519 44 H -0.5065 -4.8377 0.7053 H 1 UNL1 0.1489 45 H -1.0554 -6.0827 -0.4229 H 1 UNL1 0.1462 46 H 4.6246 1.6111 -1.0457 H 1 UNL1 0.1580 47 H 6.0116 -0.4184 -1.5709 H 1 UNL1 0.1682 48 H 4.5369 -0.4046 -2.5456 H 1 UNL1 0.1623 49 H 2.5791 2.5892 -0.1320 H 1 UNL1 0.1734 50 H 0.4582 3.6547 0.2454 H 1 UNL1 0.1729 51 H 5.0250 -2.0400 0.0449 H 1 UNL1 0.1837 52 H 4.8850 -2.6979 -1.5883 H 1 UNL1 0.1787 53 H -1.5295 4.7648 0.8855 H 1 UNL1 0.1876 54 H -2.9127 3.8260 1.4571 H 1 UNL1 0.2309 55 H 0.8967 -2.8378 -0.4884 H 1 UNL1 0.3925 56 H 7.2094 -0.0215 2.4367 H 1 UNL1 0.1875 57 H 5.5927 0.4833 2.9778 H 1 UNL1 0.1898 58 H 6.8990 1.6862 2.8067 H 1 UNL1 0.1881 59 H -4.1361 5.7317 -1.2305 H 1 UNL1 0.3562 @BOND 1 48 27 1 2 41 14 1 3 40 14 1 4 8 33 2 5 52 30 1 6 47 27 1 7 27 30 1 8 27 23 1 9 39 14 1 10 14 10 1 11 59 7 1 12 46 23 1 13 30 31 1 14 30 51 1 15 43 16 1 16 6 31 2 17 31 24 1 18 33 7 1 19 33 32 1 20 23 22 1 21 23 3 1 22 55 5 1 23 24 22 ar 24 24 26 ar 25 22 28 ar 26 45 16 1 27 5 26 1 28 26 19 ar 29 37 12 1 30 28 49 1 31 28 21 ar 32 16 12 1 33 16 44 1 34 19 21 ar 35 19 17 ar 36 21 29 ar 37 10 13 1 38 10 11 1 39 10 1 1 40 2 17 ar 41 2 13 ar 42 9 34 2 43 17 18 ar 44 13 15 ar 45 29 50 1 46 29 25 ar 47 18 25 ar 48 18 20 ar 49 25 32 1 50 15 42 1 51 15 20 ar 52 12 11 1 53 12 38 1 54 32 53 1 55 32 54 1 56 20 4 2 57 3 34 1 58 11 1 1 59 11 36 1 60 34 35 1 61 35 56 1 62 35 58 1 63 35 57 1