@MOLECULE 1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxole 57 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.9417 -0.7440 0.4198 O.3 1 UNL1111111111 -0.3441 2 O -3.7465 -2.3318 -0.8551 O.3 1 UNL1111111111 -0.3055 3 O -0.8724 -2.1874 -1.2864 O.3 1 UNL1111111111 -0.2897 4 O 0.8741 -2.0643 1.0852 O.3 1 UNL1111111111 -0.3242 5 O 4.6500 0.4716 -0.5918 O.3 1 UNL1111111111 -0.3032 6 O 3.6302 -1.7656 0.9551 O.3 1 UNL1111111111 -0.3193 7 C -1.0427 3.2339 0.5651 C.3 1 UNL1111111111 -0.0761 8 C 0.1399 3.3720 -0.4267 C.3 1 UNL1111111111 -0.0751 9 C -0.9226 1.9600 1.4370 C.3 1 UNL1111111111 -0.2946 10 C 0.2476 2.1528 -1.3738 C.3 1 UNL1111111111 -0.2969 11 C -1.6152 0.7976 0.7935 C.ar 1 UNL1111111111 0.0462 12 C 1.1196 1.0875 -0.7827 C.ar 1 UNL1111111111 0.0815 13 C -0.8916 -0.1349 0.0424 C.ar 1 UNL1111111111 -0.0912 14 C 0.5569 -0.0006 -0.0996 C.ar 1 UNL1111111111 -0.1409 15 C -1.1031 4.4515 1.4987 C.3 1 UNL1111111111 -0.4621 16 C -0.0277 4.6347 -1.2858 C.3 1 UNL1111111111 -0.4629 17 C -3.0075 0.6733 0.9729 C.ar 1 UNL1111111111 -0.2630 18 C -1.5401 -1.2253 -0.5831 C.ar 1 UNL1111111111 0.1895 19 C 2.5005 1.1886 -0.9139 C.ar 1 UNL1111111111 -0.3055 20 C 1.4024 -0.9610 0.4651 C.ar 1 UNL1111111111 0.2135 21 C -3.6111 -0.4114 0.3844 C.ar 1 UNL1111111111 0.1696 22 C -2.8998 -1.3570 -0.3837 C.ar 1 UNL1111111111 0.0185 23 C 3.3412 0.2067 -0.3674 C.ar 1 UNL1111111111 0.2243 24 C 2.7946 -0.8782 0.3309 C.ar 1 UNL1111111111 -0.0228 25 C -5.0459 -1.9740 -0.3351 C.3 1 UNL1111111111 0.1472 26 C -0.4044 -1.7246 -2.5515 C.3 1 UNL1111111111 -0.2065 27 C 0.5188 -1.8039 2.4421 C.3 1 UNL1111111111 -0.1945 28 C 5.6183 -0.4169 -0.0484 C.3 1 UNL1111111111 -0.1907 29 C 3.4909 -3.1042 0.4757 C.3 1 UNL1111111111 -0.2051 30 H -1.9927 3.1827 -0.0184 H 1 UNL1111111111 0.1394 31 H 1.0871 3.4610 0.1575 H 1 UNL1111111111 0.1414 32 H -1.3589 2.1438 2.4401 H 1 UNL1111111111 0.1499 33 H 0.1463 1.7391 1.6338 H 1 UNL1111111111 0.1643 34 H 0.6597 2.4690 -2.3543 H 1 UNL1111111111 0.1508 35 H -0.7659 1.7659 -1.6040 H 1 UNL1111111111 0.1619 36 H -1.9095 4.3508 2.2333 H 1 UNL1111111111 0.1431 37 H -0.1650 4.5823 2.0483 H 1 UNL1111111111 0.1449 38 H -1.2955 5.3765 0.9454 H 1 UNL1111111111 0.1426 39 H 0.7792 4.7267 -2.0210 H 1 UNL1111111111 0.1436 40 H -0.9772 4.6254 -1.8308 H 1 UNL1111111111 0.1443 41 H -0.0037 5.5446 -0.6770 H 1 UNL1111111111 0.1430 42 H -3.5697 1.4029 1.5446 H 1 UNL1111111111 0.1782 43 H 2.9489 2.0300 -1.4379 H 1 UNL1111111111 0.1792 44 H -5.3739 -2.7577 0.3604 H 1 UNL1111111111 0.1389 45 H -5.7043 -1.7884 -1.1962 H 1 UNL1111111111 0.1375 46 H 0.3129 -0.9035 -2.4401 H 1 UNL1111111111 0.1410 47 H -1.2443 -1.4274 -3.1859 H 1 UNL1111111111 0.1281 48 H 0.0901 -2.6167 -2.9549 H 1 UNL1111111111 0.1493 49 H 1.4117 -1.5701 3.0294 H 1 UNL1111111111 0.1320 50 H 0.0776 -2.7572 2.7558 H 1 UNL1111111111 0.1481 51 H -0.2214 -0.9990 2.5040 H 1 UNL1111111111 0.1366 52 H 5.5259 -1.4118 -0.4934 H 1 UNL1111111111 0.1382 53 H 5.5355 -0.4665 1.0429 H 1 UNL1111111111 0.1460 54 H 6.5596 0.0613 -0.3475 H 1 UNL1111111111 0.1411 55 H 3.6158 -3.1490 -0.6088 H 1 UNL1111111111 0.1266 56 H 2.5178 -3.5173 0.7676 H 1 UNL1111111111 0.1557 57 H 4.3031 -3.6269 0.9920 H 1 UNL1111111111 0.1381 @BOND 1 1 21 1 2 1 25 1 3 2 22 1 4 2 25 1 5 3 18 1 6 3 26 1 7 4 20 1 8 4 27 1 9 5 23 1 10 5 28 1 11 6 24 1 12 6 29 1 13 7 8 1 14 7 9 1 15 7 15 1 16 7 30 1 17 8 10 1 18 8 16 1 19 8 31 1 20 9 11 1 21 9 32 1 22 9 33 1 23 10 12 1 24 10 34 1 25 10 35 1 26 11 13 ar 27 11 17 ar 28 12 14 ar 29 12 19 ar 30 13 14 1 31 13 18 ar 32 14 20 ar 33 15 36 1 34 15 37 1 35 15 38 1 36 16 39 1 37 16 40 1 38 16 41 1 39 17 21 ar 40 17 42 1 41 18 22 ar 42 19 23 ar 43 19 43 1 44 20 24 ar 45 21 22 ar 46 23 24 ar 47 25 44 1 48 25 45 1 49 26 46 1 50 26 47 1 51 26 48 1 52 27 49 1 53 27 50 1 54 27 51 1 55 28 52 1 56 28 53 1 57 28 54 1 58 29 55 1 59 29 56 1 60 29 57 1