@MOLECULE (2s,3s,4s,6s)-3,4,5,5-tetrahydroxy-3-[(1r)-1-hydroxy-2-(methylamino)ethyl]-6-phenoxytetrahydro-2h-pyran-2-carboxylic acid 46 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5178 -0.5305 1.5692 O.3 1 UNL1111111111 -0.3808 2 O 2.2857 -1.3215 1.2637 O.3 1 UNL1111111111 -0.5728 3 O 0.4801 -1.0429 -1.8609 O.3 1 UNL1111111111 -0.4997 4 O -0.8550 -3.2723 -0.7784 O.3 1 UNL1111111111 -0.5103 5 O 0.3497 -3.1786 1.1122 O.3 1 UNL1111111111 -0.6161 6 O 3.5794 -0.7111 -0.9269 O.3 1 UNL1111111111 -0.5778 7 O -1.7774 -0.7490 -0.3708 O.3 1 UNL1111111111 -0.3830 8 O -0.1872 2.4510 1.0023 O.3 1 UNL1111111111 -0.5436 9 O -0.2963 1.3985 -0.9548 O.2 1 UNL1111111111 -0.4836 10 N 4.1986 2.0431 -0.6425 N.3 1 UNL1111111111 -0.5292 11 C 1.5829 -0.6136 0.2555 C.3 1 UNL1111111111 0.1544 12 C 0.9346 -1.6585 -0.7036 C.3 1 UNL1111111111 0.0517 13 C 0.5478 0.2174 1.0434 C.3 1 UNL1111111111 0.0095 14 C -0.1785 -2.4048 0.0661 C.3 1 UNL1111111111 0.4301 15 C 2.5872 0.2359 -0.5614 C.3 1 UNL1111111111 0.0984 16 C -1.1972 -1.4173 0.7165 C.3 1 UNL1111111111 0.2211 17 C 3.2537 1.3564 0.2678 C.3 1 UNL1111111111 -0.1880 18 C -0.0261 1.3621 0.2166 C.2 1 UNL1111111111 0.5916 19 C -2.8301 0.0991 -0.1687 C.ar 1 UNL1111111111 0.2516 20 C 5.3055 2.6848 0.0931 C.3 1 UNL1111111111 -0.2741 21 C -3.1682 0.6785 1.0504 C.ar 1 UNL1111111111 -0.2842 22 C -3.5058 0.4066 -1.3575 C.ar 1 UNL1111111111 -0.2228 23 C -4.1934 1.6250 1.0670 C.ar 1 UNL1111111111 -0.0930 24 C -4.5252 1.3483 -1.3131 C.ar 1 UNL1111111111 -0.0919 25 C -4.8648 1.9634 -0.1048 C.ar 1 UNL1111111111 -0.2119 26 H 1.7001 -2.3799 -1.0838 H 1 UNL1111111111 0.1876 27 H 1.0146 0.6003 1.9964 H 1 UNL1111111111 0.2044 28 H 2.1179 0.6229 -1.4980 H 1 UNL1111111111 0.1716 29 H -1.9385 -1.8921 1.3898 H 1 UNL1111111111 0.1639 30 H 3.8084 0.8964 1.1149 H 1 UNL1111111111 0.1617 31 H 2.5013 2.0377 0.7129 H 1 UNL1111111111 0.1292 32 H 3.1543 -1.6364 0.8926 H 1 UNL1111111111 0.3605 33 H -0.2441 -0.3973 -1.6692 H 1 UNL1111111111 0.3472 34 H -0.9309 -4.1644 -0.3539 H 1 UNL1111111111 0.3406 35 H 1.1330 -2.7303 1.5216 H 1 UNL1111111111 0.3769 36 H 4.3704 -0.2261 -1.2675 H 1 UNL1111111111 0.3583 37 H 3.7094 2.7221 -1.2259 H 1 UNL1111111111 0.2591 38 H -0.6657 3.1986 0.5557 H 1 UNL1111111111 0.3619 39 H 4.9891 3.3066 0.9444 H 1 UNL1111111111 0.1233 40 H 5.8894 3.3147 -0.5996 H 1 UNL1111111111 0.1468 41 H 5.9850 1.8999 0.4711 H 1 UNL1111111111 0.1490 42 H -2.6480 0.4167 1.9683 H 1 UNL1111111111 0.1778 43 H -3.2156 -0.0802 -2.2864 H 1 UNL1111111111 0.1800 44 H -4.4719 2.0935 2.0105 H 1 UNL1111111111 0.1480 45 H -5.0608 1.6104 -2.2264 H 1 UNL1111111111 0.1532 46 H -5.6583 2.7067 -0.0810 H 1 UNL1111111111 0.1532 @BOND 1 1 13 1 2 1 16 1 3 2 11 1 4 2 32 1 5 3 12 1 6 3 33 1 7 4 14 1 8 4 34 1 9 5 14 1 10 5 35 1 11 6 15 1 12 6 36 1 13 7 16 1 14 7 19 1 15 8 18 1 16 8 38 1 17 9 18 2 18 10 17 1 19 10 20 1 20 10 37 1 21 11 12 1 22 11 13 1 23 11 15 1 24 12 14 1 25 12 26 1 26 13 18 1 27 13 27 1 28 14 16 1 29 15 17 1 30 15 28 1 31 16 29 1 32 17 30 1 33 17 31 1 34 19 21 ar 35 19 22 ar 36 20 39 1 37 20 40 1 38 20 41 1 39 21 23 ar 40 21 42 1 41 22 24 ar 42 22 43 1 43 23 25 ar 44 23 44 1 45 24 25 ar 46 24 45 1 47 25 46 1