@MOLECULE (1'beta)-10,11-dimethoxyemetan-6',7'-diol 69 73 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.0107 -1.1596 -0.5562 C.3 1 UNL1 0.0522 2 C -0.5155 -1.3236 -0.4742 C.3 1 UNL1 -0.1075 3 C -0.3765 -2.8049 -0.0570 C.3 1 UNL1 -0.1208 4 C -2.5956 0.1036 -0.9491 C.3 1 UNL1 0.0579 5 C 3.1879 1.0441 -0.3748 C.ar 1 UNL1 -0.2551 6 C 5.4858 -0.1514 0.6806 C.ar 1 UNL1 -0.2770 7 C -4.8029 -0.4242 0.0915 C.ar 1 UNL1 -0.2486 8 C -5.4155 2.2984 0.4317 C.ar 1 UNL1 -0.2329 9 C -1.7774 -0.6680 0.1197 C.3 1 UNL1 -0.2966 10 C -1.5199 -3.6570 -0.6360 C.3 1 UNL1 -0.2697 11 C -1.6147 -5.0197 0.0503 C.3 1 UNL1 -0.4386 12 C 3.1623 3.8497 -0.5310 C.3 1 UNL1 -0.2131 13 C 7.6684 1.5349 1.2420 C.3 1 UNL1 -0.2147 14 H -6.6357 -1.8496 1.0550 H 1 UNL1 0.3364 15 H -7.9999 0.9700 1.7502 H 1 UNL1 0.3401 16 H -1.0832 0.8952 -2.1225 H 1 UNL1 0.2578 17 C 4.2775 1.8263 -0.0359 C.ar 1 UNL1 0.1419 18 C 5.4483 1.2194 0.4929 C.ar 1 UNL1 0.1542 19 C -5.9905 -0.0390 0.6922 C.ar 1 UNL1 0.1315 20 C -6.2993 1.3226 0.8758 C.ar 1 UNL1 0.2097 21 C 0.7170 -0.5450 0.0177 C.3 1 UNL1 -0.2924 22 C 0.9767 -3.3638 -0.5649 C.3 1 UNL1 -0.1256 23 C 3.4024 -3.1540 -0.2779 C.3 1 UNL1 -0.1070 24 C 4.4251 -2.4091 0.6014 C.3 1 UNL1 -0.2766 25 C -3.2812 2.9569 -0.6874 C.3 1 UNL1 -0.2842 26 C -2.4970 2.3959 -1.8875 C.3 1 UNL1 -0.0954 27 O -6.9409 -0.9148 1.1325 O.3 1 UNL1 -0.4906 28 O -7.4438 1.7447 1.4694 O.3 1 UNL1 -0.4485 29 O 4.3640 3.1794 -0.1730 O.3 1 UNL1 -0.2790 30 O 6.4506 2.0972 0.7720 O.3 1 UNL1 -0.2755 31 C 3.2218 -0.3438 -0.1646 C.ar 1 UNL1 -0.0443 32 C 4.3671 -0.9351 0.3547 C.ar 1 UNL1 0.0152 33 C -3.8992 0.5596 -0.3320 C.ar 1 UNL1 -0.0518 34 C -4.2197 1.9105 -0.1811 C.ar 1 UNL1 0.0227 35 N -1.7366 1.2242 -1.4147 N.3 1 UNL1 -0.5573 36 N 2.0808 -2.5452 -0.0152 N.3 1 UNL1 -0.4366 37 H 1.9557 -1.1636 -1.6802 H 1 UNL1 0.1186 38 H 0.7702 -0.5689 1.1248 H 1 UNL1 0.1638 39 H 0.6219 0.5199 -0.2637 H 1 UNL1 0.1543 40 H -0.5538 -1.2817 -1.5867 H 1 UNL1 0.1243 41 H -0.3844 -2.8634 1.0568 H 1 UNL1 0.1549 42 H 1.1002 -4.4049 -0.1952 H 1 UNL1 0.1356 43 H 0.9826 -3.4082 -1.6738 H 1 UNL1 0.1104 44 H 2.2961 1.4970 -0.8027 H 1 UNL1 0.1696 45 H 3.7030 -3.1061 -1.3454 H 1 UNL1 0.1164 46 H 3.3713 -4.2260 0.0087 H 1 UNL1 0.1317 47 H 4.1913 -2.6008 1.6735 H 1 UNL1 0.1677 48 H 5.4386 -2.8134 0.4237 H 1 UNL1 0.1418 49 H 6.3697 -0.6354 1.0844 H 1 UNL1 0.1641 50 H -2.4180 -1.4202 0.6116 H 1 UNL1 0.1423 51 H -1.5032 0.0432 0.9261 H 1 UNL1 0.1683 52 H -2.8390 -0.5878 -1.8012 H 1 UNL1 0.1168 53 H -2.4833 -3.1233 -0.5226 H 1 UNL1 0.1372 54 H -1.3847 -3.7878 -1.7256 H 1 UNL1 0.1328 55 H -4.5745 -1.4773 -0.0493 H 1 UNL1 0.1624 56 H -5.6652 3.3491 0.5655 H 1 UNL1 0.1787 57 H -2.5693 3.2383 0.1216 H 1 UNL1 0.1731 58 H -3.8096 3.8846 -0.9733 H 1 UNL1 0.1458 59 H -3.1920 2.1634 -2.7221 H 1 UNL1 0.1142 60 H -1.7712 3.1501 -2.2602 H 1 UNL1 0.1337 61 H -1.7371 -4.9142 1.1345 H 1 UNL1 0.1454 62 H -2.4680 -5.5948 -0.3252 H 1 UNL1 0.1383 63 H -0.7161 -5.6228 -0.1189 H 1 UNL1 0.1400 64 H 3.4662 4.9035 -0.4810 H 1 UNL1 0.1471 65 H 2.8601 3.5877 -1.5495 H 1 UNL1 0.1325 66 H 2.3630 3.6491 0.1901 H 1 UNL1 0.1395 67 H 7.5251 1.0382 2.2064 H 1 UNL1 0.1337 68 H 8.1021 0.8574 0.5003 H 1 UNL1 0.1334 69 H 8.2995 2.4263 1.3607 H 1 UNL1 0.1518 @BOND 1 59 26 1 2 60 26 1 3 16 35 1 4 26 35 1 5 26 25 1 6 52 4 1 7 54 10 1 8 37 1 1 9 43 22 1 10 40 2 1 11 65 12 1 12 35 4 1 13 45 23 1 14 58 25 1 15 4 33 1 16 4 9 1 17 44 5 1 18 25 34 1 19 25 57 1 20 10 53 1 21 10 3 1 22 10 11 1 23 22 42 1 24 22 3 1 25 22 36 1 26 1 31 1 27 1 36 1 28 1 21 1 29 12 64 1 30 12 29 1 31 12 66 1 32 2 3 1 33 2 21 1 34 2 9 1 35 5 31 ar 36 5 17 ar 37 33 34 ar 38 33 7 ar 39 62 11 1 40 23 36 1 41 23 46 1 42 23 24 1 43 39 21 1 44 34 8 ar 45 29 17 1 46 31 32 ar 47 63 11 1 48 3 41 1 49 55 7 1 50 17 18 ar 51 21 38 1 52 11 61 1 53 7 19 ar 54 9 50 1 55 9 51 1 56 32 24 1 57 32 6 ar 58 48 24 1 59 8 56 1 60 8 20 ar 61 18 6 ar 62 18 30 1 63 68 13 1 64 24 47 1 65 6 49 1 66 19 20 ar 67 19 27 1 68 30 13 1 69 20 28 1 70 14 27 1 71 13 69 1 72 13 67 1 73 28 15 1