@MOLECULE (2s,4r,5s,6r)-3,3,4-trihydroxy-6-(hydroxymethyl)-2-propoxy-5-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}tetrahydro-2h-pyran-4-yl dihydrogen phosphate (non-preferred name) 58 59 0 0 0 SMALL GASTEIGER @ATOM 1 P -2.5559 -2.4054 -0.9400 P.3 1 UNL111111 0.3779 2 O 0.8855 0.7206 0.0501 O.3 1 UNL111111 -0.3583 3 O -1.2252 1.9824 0.9850 O.3 1 UNL111111 -0.4160 4 O 2.5576 -0.6418 0.6356 O.3 1 UNL111111 -0.4860 5 O -2.2980 -0.8106 -0.8385 O.3 1 UNL111111 -0.4565 6 O -0.3319 -0.6343 -2.0371 O.3 1 UNL111111 -0.6015 7 O -2.6494 1.3019 -2.3188 O.3 1 UNL111111 -0.5930 8 O -0.5736 2.0246 -1.9944 O.3 1 UNL111111 -0.5565 9 O -3.3641 1.7018 0.1507 O.3 1 UNL111111 -0.4699 10 O 2.4926 1.5148 -2.2872 O.3 1 UNL111111 -0.5339 11 O 5.1726 2.0142 -1.1118 O.3 1 UNL111111 -0.5140 12 O 4.6938 0.9018 1.3377 O.3 1 UNL111111 -0.5468 13 O -0.7843 -0.3174 3.4851 O.3 1 UNL111111 -0.5601 14 O 5.1641 -2.9125 1.3672 O.3 1 UNL111111 -0.5329 15 O -2.8761 -2.7869 0.5625 O.3 1 UNL111111 -0.2733 16 O -1.1453 -3.0810 -1.2110 O.3 1 UNL111111 -0.3753 17 O -3.6679 -2.6642 -1.8230 O.2 1 UNL111111 -0.1516 18 C -0.2454 -0.0995 0.2749 C.3 1 UNL111111 -0.0063 19 C -1.1171 -0.0942 -1.0096 C.3 1 UNL111111 0.4426 20 C -1.6268 1.3492 -1.3708 C.3 1 UNL111111 0.4149 21 C -1.0321 0.6303 1.3783 C.3 1 UNL111111 0.0740 22 C -2.0655 2.1692 -0.1133 C.3 1 UNL111111 0.2509 23 C 2.0057 0.0594 -0.4776 C.3 1 UNL111111 0.2519 24 C 2.8915 1.2360 -0.9622 C.3 1 UNL111111 0.0305 25 C 4.3822 0.8586 -1.0373 C.3 1 UNL111111 0.0763 26 C 4.7924 0.0502 0.2157 C.3 1 UNL111111 0.0298 27 C 3.8555 -1.1545 0.3944 C.3 1 UNL111111 0.0258 28 C -0.2330 0.7189 2.6851 C.3 1 UNL111111 -0.0196 29 C 4.1669 -1.9639 1.6674 C.3 1 UNL111111 -0.0216 30 C -3.9911 2.2278 1.3162 C.3 1 UNL111111 0.0069 31 C -4.7283 1.0460 1.9620 C.3 1 UNL111111 -0.5543 32 C -4.3183 0.7684 3.3219 C.3 1 UNL111111 0.1330 33 H 0.0632 -1.1183 0.5905 H 1 UNL111111 0.1681 34 H -2.0262 0.1485 1.5573 H 1 UNL111111 0.1727 35 H -2.0320 3.2682 -0.2690 H 1 UNL111111 0.1514 36 H 1.7545 -0.6721 -1.2749 H 1 UNL111111 0.1536 37 H 2.7354 2.1469 -0.3419 H 1 UNL111111 0.1530 38 H 4.6129 0.3324 -1.9929 H 1 UNL111111 0.1711 39 H 5.8673 -0.2252 0.1878 H 1 UNL111111 0.1606 40 H 3.8518 -1.8188 -0.4979 H 1 UNL111111 0.1496 41 H 0.8472 0.5517 2.5334 H 1 UNL111111 0.1367 42 H -0.3965 1.6878 3.1937 H 1 UNL111111 0.1413 43 H -0.6215 -0.3156 -2.9266 H 1 UNL111111 0.3627 44 H -3.4610 0.8643 -1.9465 H 1 UNL111111 0.3867 45 H -0.9068 2.5313 -2.7770 H 1 UNL111111 0.3509 46 H 4.4707 -1.3228 2.5120 H 1 UNL111111 0.1360 47 H 3.2962 -2.5820 1.9651 H 1 UNL111111 0.1582 48 H 1.5196 1.6969 -2.2875 H 1 UNL111111 0.3397 49 H 5.2196 2.4537 -0.2302 H 1 UNL111111 0.3242 50 H -3.2549 2.6774 2.0082 H 1 UNL111111 0.1396 51 H -4.6807 3.0061 0.9526 H 1 UNL111111 0.1209 52 H 3.7425 1.0113 1.5805 H 1 UNL111111 0.3330 53 H -0.1888 -0.5340 4.2254 H 1 UNL111111 0.3189 54 H -5.8298 1.1863 1.9136 H 1 UNL111111 0.1848 55 H -4.5665 0.1309 1.3293 H 1 UNL111111 0.2282 56 H 6.0482 -2.4935 1.3475 H 1 UNL111111 0.3136 57 H -2.1083 -2.4692 1.1689 H 1 UNL111111 0.3084 58 H -0.5712 -2.4228 -1.7604 H 1 UNL111111 0.3490 @BOND 1 56 14 1 2 14 29 1 3 39 26 1 4 40 27 1 5 38 25 1 6 29 27 1 7 29 47 1 8 29 46 1 9 27 26 1 10 27 4 1 11 26 25 1 12 26 12 1 13 25 11 1 14 25 24 1 15 11 49 1 16 36 23 1 17 12 52 1 18 4 23 1 19 58 16 1 20 10 24 1 21 10 48 1 22 16 1 1 23 24 23 1 24 24 37 1 25 23 2 1 26 6 43 1 27 6 19 1 28 33 18 1 29 1 17 2 30 1 15 1 31 1 5 1 32 2 18 1 33 18 19 1 34 18 21 1 35 19 5 1 36 19 20 1 37 57 15 1 38 41 28 1 39 8 45 1 40 8 20 1 41 20 7 1 42 20 22 1 43 53 13 1 44 21 28 1 45 21 34 1 46 21 3 1 47 7 44 1 48 28 13 1 49 28 42 1 50 3 22 1 51 22 35 1 52 22 9 1 53 9 30 1 54 55 31 1 55 30 31 1 56 30 50 1 57 30 51 1 58 31 32 1 59 31 54 1