@MOLECULE 6,6',7,12-tetramethoxy-2,2'-dimethylberbaman 88 94 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3965 0.9163 -0.5202 O.3 1 UNL1111111111 -0.2721 2 O 2.9268 2.2561 -0.5714 O.3 1 UNL1111111111 -0.3053 3 O 2.8263 5.1767 -0.3728 O.3 1 UNL1111111111 -0.3034 4 O 1.5275 1.5990 1.8875 O.3 1 UNL1111111111 -0.2812 5 O -3.3407 -3.0280 -0.5580 O.3 1 UNL1111111111 -0.3228 6 O -6.0313 -2.6261 0.3586 O.3 1 UNL1111111111 -0.3136 7 N -3.1846 3.0237 -0.7124 N.3 1 UNL1111111111 -0.4058 8 N 4.4786 -3.4027 -0.6575 N.3 1 UNL1111111111 -0.4157 9 C -1.9966 2.1990 -0.3922 C.3 1 UNL1111111111 0.0955 10 C 3.0275 -3.1421 -0.8177 C.3 1 UNL1111111111 0.0725 11 C -0.6968 2.9710 -0.3672 C.ar 1 UNL1111111111 -0.2105 12 C -3.1705 4.3021 0.0174 C.3 1 UNL1111111111 -0.0999 13 C -0.6697 4.3652 -0.3005 C.ar 1 UNL1111111111 0.1013 14 C -1.9294 5.1716 -0.2626 C.3 1 UNL1111111111 -0.3277 15 C 2.6923 -1.8624 -0.0887 C.ar 1 UNL1111111111 -0.0695 16 C -2.2288 1.5057 0.9788 C.3 1 UNL1111111111 -0.2886 17 C 4.8526 -3.5621 0.7654 C.3 1 UNL1111111111 -0.1049 18 C 3.3779 -1.4981 1.0667 C.ar 1 UNL1111111111 0.0521 19 C 4.5844 -2.2511 1.5316 C.3 1 UNL1111111111 -0.2875 20 C 2.1334 -4.3153 -0.3108 C.3 1 UNL1111111111 -0.3424 21 C 0.5217 2.2822 -0.4306 C.ar 1 UNL1111111111 0.2235 22 C 1.7059 -1.0145 -0.6091 C.ar 1 UNL1111111111 -0.1668 23 C -3.3276 3.2189 -2.1707 C.3 1 UNL1111111111 -0.2740 24 C 0.5426 5.0530 -0.2932 C.ar 1 UNL1111111111 -0.3292 25 C 1.3913 0.1592 0.0617 C.ar 1 UNL1111111111 0.1186 26 C -3.2171 0.3940 0.8146 C.ar 1 UNL1111111111 0.0283 27 C 3.0035 -0.3535 1.7845 C.ar 1 UNL1111111111 -0.3028 28 C 1.7470 2.9546 -0.4980 C.ar 1 UNL1111111111 -0.0492 29 C 4.9325 -4.5579 -1.4573 C.3 1 UNL1111111111 -0.2777 30 C 0.6787 -3.9873 -0.3711 C.ar 1 UNL1111111111 -0.0132 31 C 1.7516 4.3526 -0.3858 C.ar 1 UNL1111111111 0.2416 32 C 1.9982 0.4717 1.2970 C.ar 1 UNL1111111111 0.1966 33 C -2.8008 -0.7925 0.2140 C.ar 1 UNL1111111111 -0.2255 34 C -4.5449 0.5314 1.2289 C.ar 1 UNL1111111111 -0.1411 35 C 0.0058 -3.9718 -1.5948 C.ar 1 UNL1111111111 -0.1441 36 C -0.0073 -3.6998 0.8141 C.ar 1 UNL1111111111 -0.1224 37 C -3.6988 -1.8450 0.0586 C.ar 1 UNL1111111111 0.0981 38 C -5.4485 -0.5106 1.0594 C.ar 1 UNL1111111111 -0.2046 39 C -1.9981 -3.3310 -0.4580 C.ar 1 UNL1111111111 0.2009 40 C -1.3445 -3.6365 -1.6507 C.ar 1 UNL1111111111 -0.1996 41 C -1.3564 -3.3722 0.7799 C.ar 1 UNL1111111111 -0.2121 42 C -5.0294 -1.7143 0.4738 C.ar 1 UNL1111111111 0.1533 43 C 3.1912 1.7896 -1.8973 C.3 1 UNL1111111111 -0.2123 44 C 4.1120 4.5925 -0.2194 C.3 1 UNL1111111111 -0.1914 45 C 2.1103 1.9587 3.1352 C.3 1 UNL1111111111 -0.2077 46 C -5.6803 -3.9391 -0.0572 C.3 1 UNL1111111111 -0.1930 47 H -1.9190 1.3941 -1.1777 H 1 UNL1111111111 0.1595 48 H 2.8442 -3.0036 -1.9180 H 1 UNL1111111111 0.1461 49 H -3.2289 4.0671 1.1050 H 1 UNL1111111111 0.1426 50 H -4.0971 4.8619 -0.2285 H 1 UNL1111111111 0.1323 51 H -1.8553 5.9688 0.5029 H 1 UNL1111111111 0.1548 52 H -2.0490 5.6983 -1.2327 H 1 UNL1111111111 0.1578 53 H -2.5618 2.2409 1.7330 H 1 UNL1111111111 0.1493 54 H -1.2598 1.1130 1.3560 H 1 UNL1111111111 0.1683 55 H 5.9390 -3.7972 0.8127 H 1 UNL1111111111 0.1336 56 H 4.3256 -4.4060 1.2616 H 1 UNL1111111111 0.1130 57 H 5.4656 -1.5803 1.4031 H 1 UNL1111111111 0.1620 58 H 4.5197 -2.4693 2.6155 H 1 UNL1111111111 0.1464 59 H 2.4279 -4.5732 0.7270 H 1 UNL1111111111 0.1545 60 H 2.3476 -5.2207 -0.9116 H 1 UNL1111111111 0.1481 61 H 1.1875 -1.2632 -1.5352 H 1 UNL1111111111 0.1768 62 H -2.4588 3.6924 -2.6517 H 1 UNL1111111111 0.1245 63 H -4.2199 3.8315 -2.3721 H 1 UNL1111111111 0.1371 64 H -3.4974 2.2345 -2.6408 H 1 UNL1111111111 0.1493 65 H 0.5694 6.1372 -0.2165 H 1 UNL1111111111 0.1779 66 H 3.5259 -0.1073 2.7029 H 1 UNL1111111111 0.1627 67 H 6.0364 -4.5646 -1.4636 H 1 UNL1111111111 0.1456 68 H 4.6072 -4.4299 -2.5028 H 1 UNL1111111111 0.1466 69 H 4.5824 -5.5367 -1.0986 H 1 UNL1111111111 0.1188 70 H -1.7704 -0.8882 -0.1346 H 1 UNL1111111111 0.1829 71 H -4.8781 1.4689 1.6705 H 1 UNL1111111111 0.1571 72 H 0.5401 -4.2109 -2.5114 H 1 UNL1111111111 0.1483 73 H 0.5208 -3.7158 1.7660 H 1 UNL1111111111 0.1541 74 H -6.4852 -0.4100 1.3719 H 1 UNL1111111111 0.1648 75 H -1.8807 -3.5993 -2.5947 H 1 UNL1111111111 0.1670 76 H -1.9014 -3.1308 1.6897 H 1 UNL1111111111 0.1717 77 H 4.1426 1.2580 -1.7782 H 1 UNL1111111111 0.1479 78 H 2.4074 1.0998 -2.2293 H 1 UNL1111111111 0.1442 79 H 3.2877 2.6279 -2.5913 H 1 UNL1111111111 0.1247 80 H 4.4136 4.0959 -1.1463 H 1 UNL1111111111 0.1382 81 H 4.1374 3.8926 0.6221 H 1 UNL1111111111 0.1441 82 H 4.7430 5.4680 -0.0197 H 1 UNL1111111111 0.1400 83 H 3.1739 2.1859 3.0211 H 1 UNL1111111111 0.1315 84 H 1.9437 1.1787 3.8858 H 1 UNL1111111111 0.1339 85 H 1.5515 2.8690 3.3941 H 1 UNL1111111111 0.1551 86 H -6.6343 -4.4729 0.0382 H 1 UNL1111111111 0.1417 87 H -5.3425 -3.9354 -1.0998 H 1 UNL1111111111 0.1423 88 H -4.9237 -4.3775 0.6009 H 1 UNL1111111111 0.1383 @BOND 1 1 21 1 2 1 25 1 3 2 28 1 4 2 43 1 5 3 31 1 6 3 44 1 7 4 32 1 8 4 45 1 9 5 37 1 10 5 39 1 11 6 42 1 12 6 46 1 13 7 9 1 14 7 12 1 15 7 23 1 16 8 10 1 17 8 17 1 18 8 29 1 19 9 11 1 20 9 16 1 21 9 47 1 22 10 15 1 23 10 20 1 24 10 48 1 25 11 13 ar 26 11 21 ar 27 12 14 1 28 12 49 1 29 12 50 1 30 13 14 1 31 13 24 ar 32 14 51 1 33 14 52 1 34 15 18 ar 35 15 22 ar 36 16 26 1 37 16 53 1 38 16 54 1 39 17 19 1 40 17 55 1 41 17 56 1 42 18 19 1 43 18 27 ar 44 19 57 1 45 19 58 1 46 20 30 1 47 20 59 1 48 20 60 1 49 21 28 ar 50 22 25 ar 51 22 61 1 52 23 62 1 53 23 63 1 54 23 64 1 55 24 31 ar 56 24 65 1 57 25 32 ar 58 26 33 ar 59 26 34 ar 60 27 32 ar 61 27 66 1 62 28 31 ar 63 29 67 1 64 29 68 1 65 29 69 1 66 30 35 ar 67 30 36 ar 68 33 37 ar 69 33 70 1 70 34 38 ar 71 34 71 1 72 35 40 ar 73 35 72 1 74 36 41 ar 75 36 73 1 76 37 42 ar 77 38 42 ar 78 38 74 1 79 39 40 ar 80 39 41 ar 81 40 75 1 82 41 76 1 83 43 77 1 84 43 78 1 85 43 79 1 86 44 80 1 87 44 81 1 88 44 82 1 89 45 83 1 90 45 84 1 91 45 85 1 92 46 86 1 93 46 87 1 94 46 88 1