@MOLECULE 1,6-dideoxy-1-[2,3-dimethyl-2-(2-methyl-3-buten-2-yl)-2,3-dihydro-3-furanyl]-4-o-methylhex-2-ulose 53 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.6491 1.1260 -0.5906 O.2 1 UNL1111111111 -0.3782 2 O 1.3331 2.5074 0.0048 O.2 1 UNL1111111111 -0.4430 3 O 2.8794 1.1009 1.6186 O.3 1 UNL1111111111 -0.5306 4 O 3.0084 -1.7113 -0.1399 O.3 1 UNL1111111111 -0.3761 5 O 5.1976 -0.2673 -1.3744 O.3 1 UNL1111111111 -0.5714 6 C -2.5570 0.1602 -0.6809 C.3 1 UNL1111111111 0.2331 7 C -1.3363 0.8905 0.0330 C.3 1 UNL1111111111 0.0811 8 C -3.1229 -1.1434 -0.0503 C.3 1 UNL1111111111 0.0494 9 C -0.0245 0.7033 -0.7504 C.3 1 UNL1111111111 -0.4045 10 C -2.3294 0.0137 -2.1900 C.3 1 UNL1111111111 -0.4917 11 C -1.8175 2.3262 0.0098 C.2 1 UNL1111111111 -0.3399 12 C -1.1218 0.5069 1.4982 C.3 1 UNL1111111111 -0.4730 13 C -2.0549 -2.2453 -0.0925 C.3 1 UNL1111111111 -0.4554 14 C -4.3552 -1.6206 -0.8528 C.3 1 UNL1111111111 -0.4564 15 C -3.1186 2.3565 -0.3076 C.2 1 UNL1111111111 0.0949 16 C -3.6510 -0.8819 1.3369 C.2 1 UNL1111111111 -0.1167 17 C 1.1383 1.3177 -0.0230 C.2 1 UNL1111111111 0.4295 18 C 2.1241 0.3820 0.6779 C.3 1 UNL1111111111 -0.0052 19 C 3.0395 -0.3103 -0.3584 C.3 1 UNL1111111111 -0.0040 20 C -3.5441 -1.7124 2.3733 C.2 1 UNL1111111111 -0.3507 21 C 4.5336 0.0646 -0.1732 C.3 1 UNL1111111111 0.1864 22 C 5.1795 -0.6370 1.0119 C.3 1 UNL1111111111 -0.4912 23 C 1.9482 -2.3869 -0.7860 C.3 1 UNL1111111111 -0.2082 24 H 0.1407 -0.3722 -0.9473 H 1 UNL1111111111 0.1608 25 H -0.1090 1.1981 -1.7449 H 1 UNL1111111111 0.1857 26 H -1.6299 -0.7877 -2.4359 H 1 UNL1111111111 0.1506 27 H -3.2766 -0.1993 -2.7053 H 1 UNL1111111111 0.1655 28 H -1.9646 0.9522 -2.6279 H 1 UNL1111111111 0.1618 29 H -1.1559 3.1317 0.2562 H 1 UNL1111111111 0.1869 30 H -2.0254 0.6911 2.0963 H 1 UNL1111111111 0.1687 31 H -0.8520 -0.5451 1.6276 H 1 UNL1111111111 0.1507 32 H -0.3383 1.1203 1.9644 H 1 UNL1111111111 0.1610 33 H -1.6736 -2.4013 -1.1064 H 1 UNL1111111111 0.1432 34 H -2.4733 -3.2040 0.2402 H 1 UNL1111111111 0.1541 35 H -1.2075 -2.0164 0.5630 H 1 UNL1111111111 0.1496 36 H -4.8823 -2.4202 -0.3186 H 1 UNL1111111111 0.1530 37 H -5.0707 -0.8021 -1.0045 H 1 UNL1111111111 0.1622 38 H -4.0780 -2.0140 -1.8345 H 1 UNL1111111111 0.1461 39 H -3.8529 3.1342 -0.3843 H 1 UNL1111111111 0.1636 40 H -4.2008 0.0609 1.4217 H 1 UNL1111111111 0.1576 41 H 1.6030 -0.3837 1.3035 H 1 UNL1111111111 0.1785 42 H 2.7352 -0.0774 -1.4029 H 1 UNL1111111111 0.1383 43 H -3.0277 -2.6572 2.3503 H 1 UNL1111111111 0.1453 44 H -3.9756 -1.5030 3.3401 H 1 UNL1111111111 0.1466 45 H 4.6600 1.1713 -0.1300 H 1 UNL1111111111 0.1477 46 H 2.9597 2.0503 1.3536 H 1 UNL1111111111 0.3360 47 H 4.7061 -0.3286 1.9559 H 1 UNL1111111111 0.1784 48 H 6.2475 -0.3975 1.0741 H 1 UNL1111111111 0.1550 49 H 5.0839 -1.7276 0.9482 H 1 UNL1111111111 0.1579 50 H 5.2630 -1.2371 -1.4797 H 1 UNL1111111111 0.3234 51 H 2.1798 -3.4432 -0.5923 H 1 UNL1111111111 0.1480 52 H 0.9864 -2.1294 -0.3311 H 1 UNL1111111111 0.1212 53 H 1.9444 -2.1979 -1.8636 H 1 UNL1111111111 0.1245 @BOND 1 1 6 1 2 1 15 1 3 2 17 2 4 3 18 1 5 3 46 1 6 4 19 1 7 4 23 1 8 5 21 1 9 5 50 1 10 6 7 1 11 6 8 1 12 6 10 1 13 7 9 1 14 7 11 1 15 7 12 1 16 8 13 1 17 8 14 1 18 8 16 1 19 9 17 1 20 9 24 1 21 9 25 1 22 10 26 1 23 10 27 1 24 10 28 1 25 11 15 2 26 11 29 1 27 12 30 1 28 12 31 1 29 12 32 1 30 13 33 1 31 13 34 1 32 13 35 1 33 14 36 1 34 14 37 1 35 14 38 1 36 15 39 1 37 16 20 2 38 16 40 1 39 17 18 1 40 18 19 1 41 18 41 1 42 19 21 1 43 19 42 1 44 20 43 1 45 20 44 1 46 21 22 1 47 21 45 1 48 22 47 1 49 22 48 1 50 22 49 1 51 23 51 1 52 23 52 1 53 23 53 1