@MOLECULE (2s,3r,4s,5s,6r)-2-[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydro-2-furanyl]-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl hexanoate 62 63 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.0960 1.4974 -0.0400 O.3 1 UNL1111111111 -0.4127 2 O -0.3164 -1.0297 -0.8672 O.3 1 UNL1111111111 -0.4462 3 O 0.5433 -0.2250 1.1571 O.3 1 UNL1111111111 -0.5020 4 O -4.0833 -0.2436 0.0658 O.3 1 UNL1111111111 -0.5442 5 O -0.9804 -1.8027 2.5850 O.3 1 UNL1111111111 -0.5409 6 O -2.4983 0.6525 -2.8422 O.3 1 UNL1111111111 -0.5337 7 O -0.3234 -4.3276 1.4664 O.3 1 UNL1111111111 -0.5668 8 O -3.2189 1.5114 1.8791 O.3 1 UNL1111111111 -0.5756 9 O 1.6580 -4.0308 -0.7003 O.3 1 UNL1111111111 -0.5474 10 O -1.4945 4.2684 -0.0006 O.3 1 UNL1111111111 -0.5368 11 O 1.2219 -0.6229 -3.1752 O.3 1 UNL1111111111 -0.5513 12 O 1.4164 0.9734 -0.5562 O.2 1 UNL1111111111 -0.4798 13 C -1.7122 0.3199 0.4443 C.3 1 UNL1111111111 0.1231 14 C -0.5647 -0.7504 0.4750 C.3 1 UNL1111111111 0.4147 15 C -2.8445 -0.0638 -0.5484 C.3 1 UNL1111111111 0.0753 16 C -0.9031 -2.0844 1.2073 C.3 1 UNL1111111111 0.0585 17 C -2.8897 1.1042 -1.5740 C.3 1 UNL1111111111 0.0686 18 C -1.8886 2.1397 -1.0400 C.3 1 UNL1111111111 0.0073 19 C 0.2062 -3.1207 0.9491 C.3 1 UNL1111111111 0.0580 20 C -2.1349 0.5845 1.8968 C.3 1 UNL1111111111 -0.0285 21 C 0.7693 -1.8990 -1.1625 C.3 1 UNL1111111111 0.0467 22 C 0.4661 -3.2845 -0.5613 C.3 1 UNL1111111111 0.0477 23 C -2.5191 3.3683 -0.3726 C.3 1 UNL1111111111 -0.0415 24 C 0.7800 -1.8733 -2.6952 C.3 1 UNL1111111111 -0.0125 25 C 1.3331 0.7592 0.6174 C.2 1 UNL1111111111 0.6543 26 C 2.0789 1.3971 1.7528 C.3 1 UNL1111111111 -0.3463 27 C 3.2399 2.2432 1.2255 C.3 1 UNL1111111111 -0.2545 28 C 4.3500 1.3689 0.6284 C.3 1 UNL1111111111 -0.2711 29 C 5.5357 2.2362 0.1858 C.3 1 UNL1111111111 -0.2481 30 C 6.6626 1.3711 -0.3781 C.3 1 UNL1111111111 -0.4413 31 H -2.6783 -1.0387 -1.0623 H 1 UNL1111111111 0.1714 32 H -1.9003 -2.4642 0.8761 H 1 UNL1111111111 0.1624 33 H -3.9199 1.4836 -1.7366 H 1 UNL1111111111 0.1700 34 H -1.1477 2.4481 -1.8133 H 1 UNL1111111111 0.1745 35 H 1.1402 -2.8608 1.4968 H 1 UNL1111111111 0.1573 36 H -2.4845 -0.3373 2.3961 H 1 UNL1111111111 0.1569 37 H -1.2964 1.0374 2.4597 H 1 UNL1111111111 0.1460 38 H 1.7150 -1.4859 -0.7470 H 1 UNL1111111111 0.1646 39 H -0.3802 -3.7921 -1.0672 H 1 UNL1111111111 0.1439 40 H -3.1446 3.9533 -1.0636 H 1 UNL1111111111 0.1447 41 H -3.0952 3.1011 0.5331 H 1 UNL1111111111 0.1497 42 H -4.2482 0.4789 0.7207 H 1 UNL1111111111 0.3431 43 H 1.4902 -2.6138 -3.1083 H 1 UNL1111111111 0.1506 44 H -0.2302 -2.0359 -3.1166 H 1 UNL1111111111 0.1340 45 H -0.9493 -2.6488 3.0919 H 1 UNL1111111111 0.3391 46 H -1.5846 0.2925 -2.8103 H 1 UNL1111111111 0.3308 47 H 0.3849 -4.9951 1.5713 H 1 UNL1111111111 0.3283 48 H -3.5636 1.6281 2.7871 H 1 UNL1111111111 0.3272 49 H 1.4647 -4.9597 -0.9330 H 1 UNL1111111111 0.3234 50 H 2.4414 0.6211 2.4638 H 1 UNL1111111111 0.1822 51 H 1.3753 2.0202 2.3457 H 1 UNL1111111111 0.1758 52 H -0.8102 3.7837 0.5068 H 1 UNL1111111111 0.3194 53 H 1.1173 0.0704 -2.4754 H 1 UNL1111111111 0.3496 54 H 3.6466 2.8653 2.0452 H 1 UNL1111111111 0.1414 55 H 2.8707 2.9545 0.4568 H 1 UNL1111111111 0.1588 56 H 4.6831 0.6132 1.3582 H 1 UNL1111111111 0.1327 57 H 3.9577 0.8041 -0.2415 H 1 UNL1111111111 0.1526 58 H 5.2036 2.9667 -0.5777 H 1 UNL1111111111 0.1403 59 H 5.9097 2.8350 1.0372 H 1 UNL1111111111 0.1286 60 H 7.0472 0.6713 0.3715 H 1 UNL1111111111 0.1392 61 H 6.3214 0.7812 -1.2375 H 1 UNL1111111111 0.1487 62 H 7.5035 1.9839 -0.7183 H 1 UNL1111111111 0.1397 @BOND 1 1 13 1 2 1 18 1 3 2 14 1 4 2 21 1 5 3 14 1 6 3 25 1 7 4 15 1 8 4 42 1 9 5 16 1 10 5 45 1 11 6 17 1 12 6 46 1 13 7 19 1 14 7 47 1 15 8 20 1 16 8 48 1 17 9 22 1 18 9 49 1 19 10 23 1 20 10 52 1 21 11 24 1 22 11 53 1 23 12 25 2 24 13 14 1 25 13 15 1 26 13 20 1 27 14 16 1 28 15 17 1 29 15 31 1 30 16 19 1 31 16 32 1 32 17 18 1 33 17 33 1 34 18 23 1 35 18 34 1 36 19 22 1 37 19 35 1 38 20 36 1 39 20 37 1 40 21 22 1 41 21 24 1 42 21 38 1 43 22 39 1 44 23 40 1 45 23 41 1 46 24 43 1 47 24 44 1 48 25 26 1 49 26 27 1 50 26 50 1 51 26 51 1 52 27 28 1 53 27 54 1 54 27 55 1 55 28 29 1 56 28 56 1 57 28 57 1 58 29 30 1 59 29 58 1 60 29 59 1 61 30 60 1 62 30 61 1 63 30 62 1