@MOLECULE (2s,3r)-2-amino-3-{[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}tetrahydro-2h-pyran-2-yl]oxy}butanoic acid (non-preferred name) 59 60 0 0 0 SMALL GASTEIGER @ATOM 1 O1 -1.2493 -0.6307 1.0512 O.3 1 <1> -0.4780 2 O2 0.6499 -1.2044 -1.0647 O.3 1 <1> -0.4433 3 O3 -1.5325 1.5819 0.4342 O.3 1 <1> -0.4085 4 O4 2.2228 -0.2548 0.3215 O.3 1 <1> -0.4633 5 O5 -0.3375 -2.5639 2.7053 O.3 1 <1> -0.5501 6 O6 0.6579 -4.3436 0.6867 O.3 1 <1> -0.5595 7 O7 -4.1631 1.2941 1.7612 O.3 1 <1> -0.5482 8 O8 -5.2509 -0.1214 -0.2625 O.3 1 <1> -0.5459 9 O9 -3.7006 1.0380 -2.3803 O.3 1 <1> -0.5589 10 O10 2.0260 -3.3672 -2.7483 O.3 1 <1> -0.5486 11 O11 0.0122 2.3999 -2.0013 O.3 1 <1> -0.5564 12 O12 2.1494 1.8933 1.9399 O.3 1 <1> -0.5462 13 O13 4.0552 2.9687 1.5478 O.2 1 <1> -0.5333 14 N1 3.7314 2.7187 -1.2484 N.3 1 <1> -0.6152 15 C1 0.1504 -0.6562 1.2747 C.3 1 <1> 0.0257 16 C2 0.4582 -2.1196 1.6318 C.3 1 <1> 0.0734 17 C3 0.2115 -3.0328 0.4152 C.3 1 <1> 0.0481 18 C4 0.8682 -0.2783 -0.0418 C.3 1 <1> 0.2755 19 C5 -1.8974 0.5920 1.3378 C.3 1 <1> 0.2771 20 C6 1.0641 -2.5361 -0.7711 C.3 1 <1> 0.0787 21 C7 -3.4004 0.2067 1.2780 C.3 1 <1> 0.0233 22 C8 -3.8583 0.0267 -0.1809 C.3 1 <1> 0.0815 23 C9 -3.4191 1.2470 -1.0140 C.3 1 <1> 0.0509 24 C10 -1.8879 1.3583 -0.9257 C.3 1 <1> 0.0336 25 C11 0.7872 -3.3249 -2.0549 C.3 1 <1> -0.0219 26 C12 -1.3436 2.5868 -1.6611 C.3 1 <1> -0.0120 27 C13 3.0835 0.4482 -0.5644 C.3 1 <1> 0.1674 28 C14 2.8630 1.9760 -0.3328 C.3 1 <1> -0.0844 29 C15 4.4747 -0.0392 -0.1809 C.3 1 <1> -0.4677 30 C16 3.1279 2.3348 1.1168 C.2 1 <1> 0.6056 31 H1 0.4410 0.0396 2.0918 H 1 <1> 0.1633 32 H2 1.5002 -2.2243 2.0201 H 1 <1> 0.1730 33 H3 -0.8683 -3.0846 0.1584 H 1 <1> 0.1421 34 H4 0.5179 0.6794 -0.4869 H 1 <1> 0.1691 35 H5 -1.5798 1.0202 2.3130 H 1 <1> 0.1433 36 H6 2.1540 -2.5434 -0.5322 H 1 <1> 0.1712 37 H7 -3.6131 -0.6996 1.8838 H 1 <1> 0.1453 38 H8 -3.4735 -0.9281 -0.6128 H 1 <1> 0.1708 39 H9 -3.9338 2.1770 -0.6912 H 1 <1> 0.1503 40 H10 -1.4031 0.4188 -1.2844 H 1 <1> 0.1653 41 H11 0.0813 -2.7867 -2.7182 H 1 <1> 0.1447 42 H12 0.4166 -4.3402 -1.8403 H 1 <1> 0.1328 43 H13 -1.9299 2.7999 -2.5747 H 1 <1> 0.1436 44 H14 -1.3165 3.4819 -1.0069 H 1 <1> 0.1611 45 H15 2.8362 0.1937 -1.6213 H 1 <1> 0.1557 46 H16 -1.2743 -2.3127 2.5541 H 1 <1> 0.3254 47 H17 0.4353 -4.5834 1.6146 H 1 <1> 0.3365 48 H18 -4.0858 1.3786 2.7327 H 1 <1> 0.3265 49 H19 -5.7016 0.5630 0.2849 H 1 <1> 0.3372 50 H20 -4.5742 0.5948 -2.4743 H 1 <1> 0.3400 51 H21 1.7857 2.2250 -0.5764 H 1 <1> 0.2023 52 H22 4.6942 0.1378 0.8792 H 1 <1> 0.1612 53 H23 5.2486 0.4518 -0.7823 H 1 <1> 0.1607 54 H24 4.5614 -1.1219 -0.3512 H 1 <1> 0.1659 55 H25 2.1868 -4.2526 -3.1297 H 1 <1> 0.3125 56 H26 0.1197 1.6749 -2.6514 H 1 <1> 0.3241 57 H27 3.4294 3.6731 -1.3696 H 1 <1> 0.2616 58 H28 4.6970 2.7163 -0.9485 H 1 <1> 0.2649 59 H29 2.3183 2.0941 2.8941 H 1 <1> 0.3502 @BOND 1 1 15 1 2 1 19 1 3 2 18 1 4 2 20 1 5 3 19 1 6 3 24 1 7 4 18 1 8 4 27 1 9 5 16 1 10 5 46 1 11 6 17 1 12 6 47 1 13 7 21 1 14 7 48 1 15 8 22 1 16 8 49 1 17 9 23 1 18 9 50 1 19 10 25 1 20 10 55 1 21 11 26 1 22 11 56 1 23 12 30 1 24 12 59 1 25 13 30 2 26 14 28 1 27 14 57 1 28 14 58 1 29 15 16 1 30 15 18 1 31 15 31 1 32 16 17 1 33 16 32 1 34 17 20 1 35 17 33 1 36 18 34 1 37 19 21 1 38 19 35 1 39 20 25 1 40 20 36 1 41 21 22 1 42 21 37 1 43 22 23 1 44 22 38 1 45 23 24 1 46 23 39 1 47 24 26 1 48 24 40 1 49 25 41 1 50 25 42 1 51 26 43 1 52 26 44 1 53 27 28 1 54 27 29 1 55 27 45 1 56 28 30 1 57 28 51 1 58 29 52 1 59 29 53 1 60 29 54 1