@MOLECULE 4-(3-hydroxy-1-propyn-1-yl)phenyl alpha-d-mannopyranoside 40 41 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.8658 3.1694 0.0925 O.3 1 UNL111111111 -0.5348 2 C -2.1864 2.6975 0.2362 C.3 1 UNL111111111 -0.0169 3 C -2.2660 1.2155 -0.1426 C.3 1 UNL111111111 0.0425 4 O -1.7200 0.5447 0.9932 O.3 1 UNL111111111 -0.4319 5 C -3.7190 0.7443 -0.3291 C.3 1 UNL111111111 0.0543 6 O -4.1975 1.4348 -1.4614 O.3 1 UNL111111111 -0.5482 7 C -3.7163 -0.7744 -0.5913 C.3 1 UNL111111111 0.0800 8 O -5.0374 -1.2181 -0.7588 O.3 1 UNL111111111 -0.5435 9 C -3.0281 -1.5070 0.5745 C.3 1 UNL111111111 0.0276 10 O -3.8971 -1.3357 1.6752 O.3 1 UNL111111111 -0.5446 11 O 7.7540 0.4384 0.8275 O.3 1 UNL111111111 -0.5269 12 C 7.1998 0.2302 -0.4616 C.3 1 UNL111111111 0.0337 13 C 5.7832 -0.0050 -0.4136 C.1 1 UNL111111111 -0.1482 14 C 4.5877 -0.2043 -0.3567 C.1 1 UNL111111111 -0.0564 15 C 3.2034 -0.4392 -0.2818 C.ar 1 UNL111111111 -0.0498 16 C 2.5594 -1.1842 -1.2840 C.ar 1 UNL111111111 -0.0720 17 C 1.1990 -1.4365 -1.2025 C.ar 1 UNL111111111 -0.2439 18 C 0.4868 -0.9353 -0.1021 C.ar 1 UNL111111111 0.2869 19 O -0.8307 -1.2778 -0.1268 O.3 1 UNL111111111 -0.4201 20 C -1.6749 -0.8393 0.9287 C.3 1 UNL111111111 0.2765 21 C 1.1011 -0.1805 0.8961 C.ar 1 UNL111111111 -0.2901 22 C 2.4680 0.0627 0.7989 C.ar 1 UNL111111111 -0.0675 23 H -0.2483 2.5987 0.5967 H 1 UNL111111111 0.3184 24 H -2.5263 2.8798 1.2716 H 1 UNL111111111 0.1315 25 H -2.7680 3.3205 -0.4752 H 1 UNL111111111 0.1703 26 H -1.6384 0.9930 -1.0346 H 1 UNL111111111 0.1634 27 H -4.3621 1.0082 0.5391 H 1 UNL111111111 0.1498 28 H -1.2740 -1.1313 1.9229 H 1 UNL111111111 0.1469 29 H -4.9790 0.9625 -1.8308 H 1 UNL111111111 0.3375 30 H -3.2344 -1.0229 -1.5676 H 1 UNL111111111 0.1714 31 H -5.4983 -1.2602 0.1113 H 1 UNL111111111 0.3363 32 H -2.9000 -2.5888 0.3527 H 1 UNL111111111 0.1523 33 H -3.6872 -1.9680 2.3929 H 1 UNL111111111 0.3266 34 H 7.1908 1.0442 1.3510 H 1 UNL111111111 0.3144 35 H 7.4616 1.1108 -1.0915 H 1 UNL111111111 0.1396 36 H 7.7678 -0.6571 -0.8289 H 1 UNL111111111 0.1625 37 H 3.1376 -1.5651 -2.1268 H 1 UNL111111111 0.1601 38 H 2.9716 0.6473 1.5699 H 1 UNL111111111 0.1599 39 H 0.6812 -2.0120 -1.9663 H 1 UNL111111111 0.1768 40 H 0.5370 0.2232 1.7325 H 1 UNL111111111 0.1756 @BOND 1 1 2 1 2 1 23 1 3 2 3 1 4 2 24 1 5 2 25 1 6 3 4 1 7 3 5 1 8 3 26 1 9 4 20 1 10 5 6 1 11 5 7 1 12 5 27 1 13 6 29 1 14 7 8 1 15 7 9 1 16 7 30 1 17 8 31 1 18 9 10 1 19 9 20 1 20 9 32 1 21 10 33 1 22 11 12 1 23 11 34 1 24 12 13 1 25 12 35 1 26 12 36 1 27 13 14 3 28 14 15 1 29 15 16 ar 30 15 22 ar 31 16 17 ar 32 16 37 1 33 17 18 ar 34 17 39 1 35 18 19 1 36 18 21 ar 37 19 20 1 38 20 28 1 39 21 22 ar 40 21 40 1 41 22 38 1