@MOLECULE (1beta)-6,6',7,12-tetramethoxy-2-methylberbaman 85 91 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.7786 0.2417 0.4486 O.3 1 UNL11 -0.2733 2 O -3.3357 -0.3372 1.5232 O.3 1 UNL11 -0.3088 3 O -5.2131 1.8959 1.6855 O.3 1 UNL11 -0.3051 4 O -2.4192 0.1636 -1.7253 O.3 1 UNL11 -0.2893 5 O 4.3270 -0.2192 1.1675 O.3 1 UNL11 -0.3179 6 O 6.1545 1.5560 -0.2479 O.3 1 UNL11 -0.3097 7 N 0.0269 3.8279 -1.4797 N.3 1 UNL11 -0.4343 8 N -0.9237 -5.8096 0.1629 N.3 1 UNL11 -0.5394 9 C -0.0520 2.7475 -0.4610 C.3 1 UNL11 0.0929 10 C -1.4288 2.4681 0.0737 C.ar 1 UNL11 -0.1834 11 C -1.2360 4.5634 -1.7218 C.3 1 UNL11 -0.0941 12 C -2.3848 3.4864 0.1611 C.ar 1 UNL11 0.0838 13 C -1.9991 4.8124 -0.4061 C.3 1 UNL11 -0.2938 14 C 0.8452 3.1982 0.7360 C.3 1 UNL11 -0.2821 15 C -1.7706 1.1955 0.5247 C.ar 1 UNL11 0.2120 16 C -0.1642 -4.5591 0.3939 C.3 1 UNL11 0.0704 17 C -0.8686 -3.3383 -0.1492 C.ar 1 UNL11 -0.1136 18 C 0.5666 3.3105 -2.7561 C.3 1 UNL11 -0.2758 19 C -3.6399 3.2471 0.7023 C.ar 1 UNL11 -0.3048 20 C -1.7812 -3.4399 -1.1973 C.ar 1 UNL11 0.0366 21 C 2.2470 2.7336 0.5147 C.ar 1 UNL11 -0.0076 22 C -2.2232 -4.7666 -1.7336 C.3 1 UNL11 -0.3298 23 C -1.3475 -5.9383 -1.2433 C.3 1 UNL11 -0.1013 24 C -3.0133 0.9334 1.1175 C.ar 1 UNL11 -0.0382 25 C 1.2419 -4.7043 -0.2554 C.3 1 UNL11 -0.2942 26 C -3.9564 1.9654 1.1839 C.ar 1 UNL11 0.2316 27 C -1.1660 -0.9530 -0.1178 C.ar 1 UNL11 0.1264 28 C -0.5798 -2.0905 0.4136 C.ar 1 UNL11 -0.1634 29 C -2.3469 -2.2852 -1.7554 C.ar 1 UNL11 -0.2877 30 C -2.0195 -1.0395 -1.2378 C.ar 1 UNL11 0.1782 31 C 2.0998 -3.5294 0.0823 C.ar 1 UNL11 -0.0448 32 C 2.6247 1.4587 0.9261 C.ar 1 UNL11 -0.1839 33 C 3.1757 3.5571 -0.1334 C.ar 1 UNL11 -0.1287 34 C 3.9243 1.0137 0.6875 C.ar 1 UNL11 0.0650 35 C 4.4721 3.1201 -0.3613 C.ar 1 UNL11 -0.2226 36 C 2.1904 -2.4608 -0.8156 C.ar 1 UNL11 -0.1021 37 C 2.7767 -3.4768 1.3035 C.ar 1 UNL11 -0.1261 38 C 4.8597 1.8330 0.0485 C.ar 1 UNL11 0.1746 39 C 3.5554 -1.2811 0.7537 C.ar 1 UNL11 0.2167 40 C 2.9181 -1.3236 -0.4858 C.ar 1 UNL11 -0.2398 41 C 3.5112 -2.3485 1.6533 C.ar 1 UNL11 -0.2288 42 C -2.6731 -0.6978 2.7375 C.3 1 UNL11 -0.2066 43 C -5.7454 0.6070 1.9679 C.3 1 UNL11 -0.1901 44 C -3.5165 0.1535 -2.6294 C.3 1 UNL11 -0.2065 45 C 6.6562 0.2748 0.1086 C.3 1 UNL11 -0.1939 46 H 0.3700 1.7908 -0.8810 H 1 UNL11 0.1591 47 H -1.9050 4.0406 -2.4398 H 1 UNL11 0.1182 48 H -0.9514 5.5358 -2.1824 H 1 UNL11 0.1343 49 H -2.8737 5.4623 -0.5886 H 1 UNL11 0.1480 50 H -1.3513 5.3604 0.3118 H 1 UNL11 0.1704 51 H 0.4385 2.7921 1.6827 H 1 UNL11 0.1534 52 H 0.7949 4.3007 0.8348 H 1 UNL11 0.1611 53 H -0.0287 -4.4616 1.5051 H 1 UNL11 0.1450 54 H 0.6791 4.1415 -3.4691 H 1 UNL11 0.1357 55 H -0.0465 2.5255 -3.2235 H 1 UNL11 0.1225 56 H 1.5776 2.9046 -2.5695 H 1 UNL11 0.1563 57 H -4.3894 4.0319 0.7583 H 1 UNL11 0.1782 58 H -3.2791 -4.9359 -1.4331 H 1 UNL11 0.1540 59 H -2.2299 -4.7540 -2.8421 H 1 UNL11 0.1546 60 H -1.8924 -6.9003 -1.3523 H 1 UNL11 0.1339 61 H -0.4377 -6.0253 -1.8775 H 1 UNL11 0.1451 62 H 1.1390 -4.8185 -1.3523 H 1 UNL11 0.1530 63 H 1.6950 -5.6548 0.0941 H 1 UNL11 0.1620 64 H -1.7341 -5.8463 0.7819 H 1 UNL11 0.2567 65 H 0.1115 -2.0031 1.2531 H 1 UNL11 0.1802 66 H -3.0341 -2.3746 -2.5903 H 1 UNL11 0.1641 67 H 1.9110 0.7987 1.4209 H 1 UNL11 0.1793 68 H 2.8648 4.5464 -0.4723 H 1 UNL11 0.1659 69 H 5.1997 3.7553 -0.8608 H 1 UNL11 0.1675 70 H 1.6693 -2.5103 -1.7715 H 1 UNL11 0.1571 71 H 2.7198 -4.3190 1.9906 H 1 UNL11 0.1499 72 H 2.9769 -0.4811 -1.1710 H 1 UNL11 0.1745 73 H 4.0336 -2.2835 2.6028 H 1 UNL11 0.1660 74 H -2.9687 -0.0316 3.5518 H 1 UNL11 0.1255 75 H -1.5853 -0.6872 2.6046 H 1 UNL11 0.1470 76 H -3.0314 -1.7182 2.9104 H 1 UNL11 0.1408 77 H -5.2712 0.1867 2.8598 H 1 UNL11 0.1383 78 H -5.6344 -0.0688 1.1132 H 1 UNL11 0.1449 79 H -6.8029 0.8320 2.1540 H 1 UNL11 0.1404 80 H -3.2328 -0.3152 -3.5759 H 1 UNL11 0.1332 81 H -3.7054 1.2268 -2.7695 H 1 UNL11 0.1536 82 H -4.3908 -0.3313 -2.1850 H 1 UNL11 0.1373 83 H 7.6953 0.3303 -0.2399 H 1 UNL11 0.1437 84 H 6.1125 -0.5182 -0.4141 H 1 UNL11 0.1392 85 H 6.6173 0.1298 1.1937 H 1 UNL11 0.1437 @BOND 1 1 15 1 2 1 27 1 3 2 24 1 4 2 42 1 5 3 26 1 6 3 43 1 7 4 30 1 8 4 44 1 9 5 34 1 10 5 39 1 11 6 38 1 12 6 45 1 13 7 9 1 14 7 11 1 15 7 18 1 16 8 16 1 17 8 23 1 18 8 64 1 19 9 10 1 20 9 14 1 21 9 46 1 22 10 12 ar 23 10 15 ar 24 11 13 1 25 11 47 1 26 11 48 1 27 12 13 1 28 12 19 ar 29 13 49 1 30 13 50 1 31 14 21 1 32 14 51 1 33 14 52 1 34 15 24 ar 35 16 17 1 36 16 25 1 37 16 53 1 38 17 20 ar 39 17 28 ar 40 18 54 1 41 18 55 1 42 18 56 1 43 19 26 ar 44 19 57 1 45 20 22 1 46 20 29 ar 47 21 32 ar 48 21 33 ar 49 22 23 1 50 22 58 1 51 22 59 1 52 23 60 1 53 23 61 1 54 24 26 ar 55 25 31 1 56 25 62 1 57 25 63 1 58 27 28 ar 59 27 30 ar 60 28 65 1 61 29 30 ar 62 29 66 1 63 31 36 ar 64 31 37 ar 65 32 34 ar 66 32 67 1 67 33 35 ar 68 33 68 1 69 34 38 ar 70 35 38 ar 71 35 69 1 72 36 40 ar 73 36 70 1 74 37 41 ar 75 37 71 1 76 39 40 ar 77 39 41 ar 78 40 72 1 79 41 73 1 80 42 74 1 81 42 75 1 82 42 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