@MOLECULE (2r,4as,5ar,6s,7s,8r,9s,9ar,10as)-4-methoxy-2-methyl-6,8-bis(methylamino)-5a,6,7,8,9,9a-hexahydro-2h-pyrano[2,3-b][1,4]benzodioxine-4a,7,9(10ah)-triol 50 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.8462 -0.8918 -0.0813 O.3 1 UNL1111111111 -0.4381 2 O -0.1325 1.6368 -1.0889 O.3 1 UNL1111111111 -0.3699 3 O 2.3484 2.6952 -0.1102 O.3 1 UNL1111111111 -0.5767 4 O 3.0357 -1.2287 -1.2302 O.3 1 UNL1111111111 -0.5251 5 O -1.8565 1.9974 0.2994 O.3 1 UNL1111111111 -0.4611 6 O -1.8577 -0.5965 -2.1252 O.3 1 UNL1111111111 -0.5569 7 O -3.3670 -1.7425 -0.1828 O.2 1 UNL1111111111 -0.3127 8 N 1.2110 -2.8192 0.2388 N.3 1 UNL1111111111 -0.5264 9 N 4.5015 0.8486 0.0090 N.3 1 UNL1111111111 -0.5028 10 C 0.4931 -0.5554 -0.4103 C.3 1 UNL1111111111 0.0491 11 C 0.6901 0.9421 -0.1541 C.3 1 UNL1111111111 -0.0163 12 C 1.3953 -1.3764 0.5283 C.3 1 UNL1111111111 -0.0630 13 C 2.1335 1.3487 -0.4879 C.3 1 UNL1111111111 0.1176 14 C 3.1106 0.5212 0.3876 C.3 1 UNL1111111111 -0.0145 15 C 2.8634 -0.9949 0.1473 C.3 1 UNL1111111111 0.1265 16 C -1.7982 -0.1549 -0.8016 C.3 1 UNL1111111111 0.3766 17 C -1.4921 1.3750 -0.9125 C.3 1 UNL1111111111 0.2840 18 C -3.1040 -0.4212 -0.0745 C.2 1 UNL1111111111 0.1778 19 C -3.2422 1.9341 0.6291 C.3 1 UNL1111111111 0.1873 20 C -3.7919 0.5441 0.5401 C.2 1 UNL1111111111 -0.3882 21 C 1.5101 -3.6667 1.4107 C.3 1 UNL1111111111 -0.2726 22 C 5.4465 0.6648 1.1274 C.3 1 UNL1111111111 -0.2733 23 C -3.2632 2.4410 2.0731 C.3 1 UNL1111111111 -0.4605 24 C -4.5180 -2.2490 0.4811 C.3 1 UNL1111111111 -0.1980 25 H 0.6626 -0.8114 -1.4858 H 1 UNL1111111111 0.1787 26 H 0.3970 1.2461 0.8747 H 1 UNL1111111111 0.1649 27 H 1.1839 -1.1200 1.5919 H 1 UNL1111111111 0.1390 28 H 2.3609 1.2477 -1.5730 H 1 UNL1111111111 0.1681 29 H 2.9061 0.7486 1.4664 H 1 UNL1111111111 0.1321 30 H 3.5977 -1.6107 0.7059 H 1 UNL1111111111 0.1282 31 H -1.9751 1.8516 -1.7896 H 1 UNL1111111111 0.1604 32 H 0.2505 -2.9786 -0.0752 H 1 UNL1111111111 0.2703 33 H 4.5504 1.8038 -0.3512 H 1 UNL1111111111 0.2724 34 H 1.6005 3.2505 -0.4213 H 1 UNL1111111111 0.3392 35 H 2.7600 -2.1592 -1.4247 H 1 UNL1111111111 0.3288 36 H -3.7782 2.6258 -0.0639 H 1 UNL1111111111 0.1265 37 H -4.7506 0.3940 1.0286 H 1 UNL1111111111 0.1733 38 H 0.8397 -3.5047 2.2710 H 1 UNL1111111111 0.1212 39 H 2.5478 -3.4993 1.7406 H 1 UNL1111111111 0.1447 40 H 1.4299 -4.7224 1.1042 H 1 UNL1111111111 0.1446 41 H -2.0305 -1.5647 -2.1708 H 1 UNL1111111111 0.3442 42 H 6.4608 0.9199 0.7683 H 1 UNL1111111111 0.1429 43 H 5.4657 -0.3967 1.4203 H 1 UNL1111111111 0.1407 44 H 5.2301 1.2743 2.0174 H 1 UNL1111111111 0.1152 45 H -2.7466 3.4053 2.1554 H 1 UNL1111111111 0.1636 46 H -4.2849 2.5650 2.4410 H 1 UNL1111111111 0.1485 47 H -2.7392 1.7401 2.7382 H 1 UNL1111111111 0.1634 48 H -4.7008 -1.7566 1.4414 H 1 UNL1111111111 0.1371 49 H -4.2580 -3.3034 0.6407 H 1 UNL1111111111 0.1518 50 H -5.3815 -2.1449 -0.1863 H 1 UNL1111111111 0.1375 @BOND 1 1 10 1 2 1 16 1 3 2 11 1 4 2 17 1 5 3 13 1 6 3 34 1 7 4 15 1 8 4 35 1 9 5 17 1 10 5 19 1 11 6 16 1 12 6 41 1 13 7 18 1 14 7 24 1 15 8 12 1 16 8 21 1 17 8 32 1 18 9 14 1 19 9 22 1 20 9 33 1 21 10 11 1 22 10 12 1 23 10 25 1 24 11 13 1 25 11 26 1 26 12 15 1 27 12 27 1 28 13 14 1 29 13 28 1 30 14 15 1 31 14 29 1 32 15 30 1 33 16 17 1 34 16 18 1 35 17 31 1 36 18 20 2 37 19 20 1 38 19 23 1 39 19 36 1 40 20 37 1 41 21 38 1 42 21 39 1 43 21 40 1 44 22 42 1 45 22 43 1 46 22 44 1 47 23 45 1 48 23 46 1 49 23 47 1 50 24 48 1 51 24 49 1 52 24 50 1