@MOLECULE 7-methylsudachitin 45 47 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.3649 -0.2088 -0.3654 O.2 1 UNL1 -0.1995 2 O 1.1672 -2.3403 -0.8370 O.3 1 UNL1 -0.2556 3 O 3.7454 -2.3356 -0.1055 O.3 1 UNL1 -0.2609 4 O 5.1012 0.1603 0.3834 O.3 1 UNL1 -0.2840 5 O 3.6018 2.4167 0.4766 O.3 1 UNL1 -0.4361 6 O 1.1884 3.4680 0.4937 O.2 1 UNL1 -0.5405 7 O -5.5420 -0.7014 1.4023 O.3 1 UNL1 -0.2578 8 O -6.5523 -0.3851 -0.9436 O.3 1 UNL1 -0.4269 9 C 1.5692 1.1910 0.0985 C.ar 1 UNL1 -0.4564 10 C 0.9837 -0.0460 -0.2045 C.ar 1 UNL1 0.2698 11 C 1.7450 -1.2037 -0.3469 C.ar 1 UNL1 -0.0753 12 C 2.9694 1.2658 0.2488 C.ar 1 UNL1 0.3860 13 C -1.1621 0.8910 -0.1929 C.ar 1 UNL1 0.2864 14 C 3.1373 -1.1359 -0.0903 C.ar 1 UNL1 0.2639 15 C 3.7514 0.1009 0.1526 C.ar 1 UNL1 -0.1145 16 C 0.7224 2.3618 0.2576 C.ar 1 UNL1 0.5567 17 C -2.5590 0.5020 -0.4174 C.ar 1 UNL1 -0.0803 18 C -0.7056 2.1179 0.1119 C.ar 1 UNL1 -0.4227 19 C -3.3362 0.0719 0.6681 C.ar 1 UNL1 -0.2149 20 C -3.0927 0.5812 -1.6965 C.ar 1 UNL1 -0.0955 21 C -4.6700 -0.2485 0.4657 C.ar 1 UNL1 0.1457 22 C -4.4445 0.2903 -1.9046 C.ar 1 UNL1 -0.2673 23 C -5.2307 -0.1047 -0.8323 C.ar 1 UNL1 0.2162 24 C 0.8642 -3.2871 0.1874 C.3 1 UNL1 -0.2182 25 C 5.0563 -2.4214 0.4576 C.3 1 UNL1 -0.1997 26 C 5.8048 0.7276 -0.7253 C.3 1 UNL1 -0.2137 27 C -5.0329 -0.8324 2.7248 C.3 1 UNL1 -0.2192 28 H -1.3652 2.9725 0.2435 H 1 UNL1 0.2033 29 H -2.8764 -0.0104 1.6497 H 1 UNL1 0.1733 30 H -2.4675 0.8656 -2.5457 H 1 UNL1 0.1682 31 H -4.8692 0.3702 -2.8999 H 1 UNL1 0.1664 32 H 2.9184 3.1835 0.5582 H 1 UNL1 0.3832 33 H 0.1649 -2.8685 0.9140 H 1 UNL1 0.1291 34 H 1.7803 -3.6283 0.6786 H 1 UNL1 0.1340 35 H 0.3984 -4.1024 -0.3787 H 1 UNL1 0.1457 36 H 5.0986 -1.9709 1.4577 H 1 UNL1 0.1501 37 H 5.7925 -1.9694 -0.2109 H 1 UNL1 0.1475 38 H 5.1970 -3.5157 0.5179 H 1 UNL1 0.1451 39 H 5.7047 0.0949 -1.6112 H 1 UNL1 0.1260 40 H 6.8401 0.7519 -0.3709 H 1 UNL1 0.1406 41 H 5.4506 1.7483 -0.9297 H 1 UNL1 0.1482 42 H -6.8717 -0.2550 -1.8740 H 1 UNL1 0.3216 43 H -4.6819 0.1285 3.1134 H 1 UNL1 0.1374 44 H -4.2508 -1.5966 2.7692 H 1 UNL1 0.1369 45 H -5.9238 -1.1630 3.2742 H 1 UNL1 0.1576 @BOND 1 31 22 1 2 30 20 1 3 22 20 ar 4 22 23 ar 5 42 8 1 6 20 17 ar 7 39 26 1 8 8 23 1 9 41 26 1 10 2 11 1 11 2 24 1 12 23 21 ar 13 26 40 1 14 26 4 1 15 17 13 1 16 17 19 ar 17 35 24 1 18 1 10 ar 19 1 13 ar 20 11 10 ar 21 11 14 ar 22 37 25 1 23 10 9 ar 24 13 18 ar 25 3 14 1 26 3 25 1 27 14 15 ar 28 9 12 ar 29 9 16 ar 30 18 28 1 31 18 16 ar 32 15 12 ar 33 15 4 1 34 24 34 1 35 24 33 1 36 12 5 1 37 16 6 2 38 25 38 1 39 25 36 1 40 21 19 ar 41 21 7 1 42 5 32 1 43 19 29 1 44 7 27 1 45 27 44 1 46 27 43 1 47 27 45 1