@MOLECULE 6,6'-dimethoxy-2,2'-dimethylberbaman-7,12-diol 82 88 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1610 -1.7229 0.7086 O.3 1 UNL1111111111 -0.2798 2 O 1.8610 -3.9589 -0.2220 O.3 1 UNL1111111111 -0.3007 3 O -0.7414 -0.2990 -3.7491 O.3 1 UNL1111111111 -0.3286 4 O 1.0438 -0.8850 -1.8521 O.3 1 UNL1111111111 -0.4274 5 O -1.5486 3.6017 -0.0851 O.3 1 UNL1111111111 -0.3491 6 O -4.2345 4.0303 0.0056 O.3 1 UNL1111111111 -0.4648 7 N -3.8819 -2.2234 1.5991 N.3 1 UNL1111111111 -0.4317 8 N 5.5751 1.1036 1.0184 N.3 1 UNL1111111111 -0.4168 9 C -2.4453 -1.8742 1.4174 C.3 1 UNL1111111111 0.0908 10 C 4.1118 1.1418 0.7802 C.3 1 UNL1111111111 0.0675 11 C -2.0500 -1.5098 0.0104 C.ar 1 UNL1111111111 -0.1598 12 C 3.4912 -0.2125 0.5277 C.ar 1 UNL1111111111 -0.1297 13 C -4.5919 -2.5609 0.3457 C.3 1 UNL1111111111 -0.0967 14 C -2.9955 -1.2345 -0.9755 C.ar 1 UNL1111111111 0.0856 15 C -4.4405 -1.3918 -0.6405 C.3 1 UNL1111111111 -0.2976 16 C -2.1619 -0.6583 2.3571 C.3 1 UNL1111111111 -0.2816 17 C 6.2524 0.2467 0.0280 C.3 1 UNL1111111111 -0.1025 18 C 4.2658 -1.3110 0.1374 C.ar 1 UNL1111111111 0.0623 19 C 5.7530 -1.2115 0.0035 C.3 1 UNL1111111111 -0.3280 20 C 3.8606 2.0911 -0.4301 C.3 1 UNL1111111111 -0.3007 21 C -0.6863 -1.3944 -0.3160 C.ar 1 UNL1111111111 0.1859 22 C 2.1138 -0.3611 0.6833 C.ar 1 UNL1111111111 -0.1162 23 C -4.0411 -3.3151 2.5812 C.3 1 UNL1111111111 -0.2793 24 C 1.5156 -1.5953 0.4458 C.ar 1 UNL1111111111 0.0648 25 C -2.6197 -0.8246 -2.2581 C.ar 1 UNL1111111111 -0.3178 26 C 3.6659 -2.5471 -0.0970 C.ar 1 UNL1111111111 -0.2874 27 C -2.6909 0.6145 1.7767 C.ar 1 UNL1111111111 0.0289 28 C 5.8790 0.6873 2.4045 C.3 1 UNL1111111111 -0.2759 29 C -0.2901 -0.9986 -1.5950 C.ar 1 UNL1111111111 0.0464 30 C 2.4468 2.5743 -0.4131 C.ar 1 UNL1111111111 -0.0095 31 C 2.2810 -2.6995 0.0522 C.ar 1 UNL1111111111 0.2267 32 C -1.2711 -0.6997 -2.5589 C.ar 1 UNL1111111111 0.1780 33 C -1.8095 1.4997 1.1483 C.ar 1 UNL1111111111 -0.2292 34 C -4.0546 0.9074 1.8315 C.ar 1 UNL1111111111 -0.1575 35 C 1.5246 2.0550 -1.3276 C.ar 1 UNL1111111111 -0.1189 36 C 2.0371 3.4999 0.5508 C.ar 1 UNL1111111111 -0.1516 37 C -2.3099 2.6490 0.5543 C.ar 1 UNL1111111111 0.1078 38 C -0.2113 3.2582 -0.2163 C.ar 1 UNL1111111111 0.1896 39 C -4.5611 2.0609 1.2364 C.ar 1 UNL1111111111 -0.2079 40 C 0.1775 2.3906 -1.2337 C.ar 1 UNL1111111111 -0.1935 41 C 0.6942 3.8465 0.6638 C.ar 1 UNL1111111111 -0.1955 42 C -3.6870 2.9290 0.5868 C.ar 1 UNL1111111111 0.1891 43 C 0.5430 -4.3183 0.1723 C.3 1 UNL1111111111 -0.1969 44 C -1.6502 -0.1407 -4.8294 C.3 1 UNL1111111111 -0.1869 45 H -1.7907 -2.7272 1.7514 H 1 UNL1111111111 0.1273 46 H 3.6362 1.6029 1.6898 H 1 UNL1111111111 0.1485 47 H -5.6653 -2.7103 0.5933 H 1 UNL1111111111 0.1328 48 H -4.2286 -3.5024 -0.1200 H 1 UNL1111111111 0.1154 49 H -4.8147 -0.4503 -0.1699 H 1 UNL1111111111 0.1870 50 H -5.0667 -1.5569 -1.5351 H 1 UNL1111111111 0.1457 51 H -1.0669 -0.5968 2.5309 H 1 UNL1111111111 0.1581 52 H -2.6212 -0.8495 3.3476 H 1 UNL1111111111 0.1524 53 H 7.3451 0.2756 0.2244 H 1 UNL1111111111 0.1336 54 H 6.1044 0.7144 -0.9717 H 1 UNL1111111111 0.1441 55 H 6.2282 -1.7854 0.8274 H 1 UNL1111111111 0.1560 56 H 6.0923 -1.7005 -0.9319 H 1 UNL1111111111 0.1568 57 H 4.1031 1.5673 -1.3741 H 1 UNL1111111111 0.1545 58 H 4.5733 2.9411 -0.3707 H 1 UNL1111111111 0.1669 59 H 1.4906 0.4859 0.9759 H 1 UNL1111111111 0.1771 60 H -3.6332 -4.2840 2.2586 H 1 UNL1111111111 0.1179 61 H -5.1138 -3.4439 2.8027 H 1 UNL1111111111 0.1423 62 H -3.5518 -3.0267 3.5265 H 1 UNL1111111111 0.1460 63 H -3.3836 -0.6003 -2.9940 H 1 UNL1111111111 0.1695 64 H 4.2595 -3.4071 -0.3989 H 1 UNL1111111111 0.1729 65 H 6.9705 0.6560 2.5461 H 1 UNL1111111111 0.1396 66 H 5.4613 -0.2923 2.6835 H 1 UNL1111111111 0.1296 67 H 5.4822 1.4479 3.0975 H 1 UNL1111111111 0.1438 68 H -0.7449 1.2705 1.1132 H 1 UNL1111111111 0.1783 69 H -4.7297 0.2059 2.3246 H 1 UNL1111111111 0.1706 70 H 1.8541 1.3542 -2.0946 H 1 UNL1111111111 0.1635 71 H 2.7680 3.9358 1.2296 H 1 UNL1111111111 0.1540 72 H -5.6224 2.2915 1.2676 H 1 UNL1111111111 0.1678 73 H -0.5591 1.9653 -1.9115 H 1 UNL1111111111 0.1746 74 H 0.3477 4.5419 1.4234 H 1 UNL1111111111 0.1664 75 H 1.2028 -0.8931 -2.8323 H 1 UNL1111111111 0.3248 76 H 0.5568 -5.4092 0.0554 H 1 UNL1111111111 0.1426 77 H -0.1919 -3.8681 -0.5033 H 1 UNL1111111111 0.1415 78 H 0.3475 -4.0423 1.2126 H 1 UNL1111111111 0.1394 79 H -2.3613 0.6655 -4.6209 H 1 UNL1111111111 0.1393 80 H -2.1640 -1.0805 -5.0510 H 1 UNL1111111111 0.1320 81 H -0.9814 0.1394 -5.6541 H 1 UNL1111111111 0.1478 82 H -3.5382 4.5803 -0.4352 H 1 UNL1111111111 0.3362 @BOND 1 1 21 1 2 1 24 1 3 2 31 1 4 2 43 1 5 3 32 1 6 3 44 1 7 4 29 1 8 4 75 1 9 5 37 1 10 5 38 1 11 6 42 1 12 6 82 1 13 7 9 1 14 7 13 1 15 7 23 1 16 8 10 1 17 8 17 1 18 8 28 1 19 9 11 1 20 9 16 1 21 9 45 1 22 10 12 1 23 10 20 1 24 10 46 1 25 11 14 ar 26 11 21 ar 27 12 18 ar 28 12 22 ar 29 13 15 1 30 13 47 1 31 13 48 1 32 14 15 1 33 14 25 ar 34 15 49 1 35 15 50 1 36 16 27 1 37 16 51 1 38 16 52 1 39 17 19 1 40 17 53 1 41 17 54 1 42 18 19 1 43 18 26 ar 44 19 55 1 45 19 56 1 46 20 30 1 47 20 57 1 48 20 58 1 49 21 29 ar 50 22 24 ar 51 22 59 1 52 23 60 1 53 23 61 1 54 23 62 1 55 24 31 ar 56 25 32 ar 57 25 63 1 58 26 31 ar 59 26 64 1 60 27 33 ar 61 27 34 ar 62 28 65 1 63 28 66 1 64 28 67 1 65 29 32 ar 66 30 35 ar 67 30 36 ar 68 33 37 ar 69 33 68 1 70 34 39 ar 71 34 69 1 72 35 40 ar 73 35 70 1 74 36 41 ar 75 36 71 1 76 37 42 ar 77 38 40 ar 78 38 41 ar 79 39 42 ar 80 39 72 1 81 40 73 1 82 41 74 1 83 43 76 1 84 43 77 1 85 43 78 1 86 44 79 1 87 44 80 1 88 44 81 1