@MOLECULE 4-{2-[4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl]ethyl}phenyl alpha-d-mannopyranoside 50 52 0 0 0 SMALL GASTEIGER @ATOM 1 O 8.4892 0.7297 -1.8237 O.3 1 UNL111111111 -0.5334 2 C 8.3489 0.0331 -0.6016 C.3 1 UNL111111111 0.0243 3 C 6.9729 0.1853 -0.0775 C.ar 1 UNL111111111 -0.0761 4 N 6.6998 0.5558 1.2421 N.ar 1 UNL111111111 -0.2054 5 N 5.4230 0.6197 1.4236 N.ar 1 UNL111111111 -0.0500 6 C 5.7401 0.0266 -0.7234 C.ar 1 UNL111111111 -0.1064 7 N 4.7951 0.3195 0.2483 N.ar 1 UNL111111111 -0.1677 8 C 3.3434 0.2278 0.1478 C.3 1 UNL111111111 -0.0677 9 C 2.8918 -1.2406 0.2914 C.3 1 UNL111111111 -0.2972 10 C 1.4033 -1.3087 0.1694 C.ar 1 UNL111111111 -0.0628 11 C 0.8138 -1.5861 -1.0689 C.ar 1 UNL111111111 -0.1026 12 C -0.5671 -1.6400 -1.1939 C.ar 1 UNL111111111 -0.2357 13 C -1.3523 -1.4123 -0.0550 C.ar 1 UNL111111111 0.2728 14 C -0.7867 -1.1334 1.1880 C.ar 1 UNL111111111 -0.2788 15 C 0.6018 -1.0869 1.2896 C.ar 1 UNL111111111 -0.0986 16 O -2.6886 -1.5230 -0.3005 O.3 1 UNL111111111 -0.4282 17 C -3.5991 -1.0461 0.6812 C.3 1 UNL111111111 0.2781 18 C -4.9711 -1.1866 -0.0257 C.3 1 UNL111111111 0.0297 19 O -5.9725 -1.0217 0.9580 O.3 1 UNL111111111 -0.5446 20 C -5.2097 -0.0456 -1.0323 C.3 1 UNL111111111 0.0794 21 O -6.5515 -0.0096 -1.4441 O.3 1 UNL111111111 -0.5433 22 C -4.8382 1.3131 -0.4056 C.3 1 UNL111111111 0.0564 23 O -4.8797 2.3264 -1.3851 O.3 1 UNL111111111 -0.5481 24 C -3.3759 1.2516 0.0661 C.3 1 UNL111111111 0.0388 25 O -3.2826 0.2449 1.0739 O.3 1 UNL111111111 -0.4311 26 C -2.9342 2.5274 0.7886 C.3 1 UNL111111111 -0.0155 27 O -1.5305 2.5424 0.9245 O.3 1 UNL111111111 -0.5385 28 H 8.3281 1.6873 -1.6926 H 1 UNL111111111 0.3165 29 H 8.5744 -1.0169 -0.8881 H 1 UNL111111111 0.1578 30 H 9.1159 0.3874 0.1185 H 1 UNL111111111 0.1469 31 H 5.5068 -0.2386 -1.7335 H 1 UNL111111111 0.1943 32 H 2.8782 0.8558 0.9491 H 1 UNL111111111 0.1809 33 H 3.0123 0.6511 -0.8290 H 1 UNL111111111 0.1625 34 H 3.3900 -1.8762 -0.4681 H 1 UNL111111111 0.1574 35 H 3.2321 -1.6474 1.2685 H 1 UNL111111111 0.1699 36 H 1.4408 -1.7610 -1.9432 H 1 UNL111111111 0.1555 37 H 1.0620 -0.8749 2.2559 H 1 UNL111111111 0.1604 38 H -1.0442 -1.8541 -2.1469 H 1 UNL111111111 0.1734 39 H -1.4028 -0.9517 2.0637 H 1 UNL111111111 0.1712 40 H -3.5165 -1.6307 1.6226 H 1 UNL111111111 0.1472 41 H -5.0710 -2.1801 -0.5152 H 1 UNL111111111 0.1525 42 H -6.1176 -1.8526 1.4557 H 1 UNL111111111 0.3269 43 H -4.6531 -0.2224 -1.9842 H 1 UNL111111111 0.1700 44 H -7.1511 -0.0913 -0.6656 H 1 UNL111111111 0.3369 45 H -5.5344 1.5897 0.4162 H 1 UNL111111111 0.1501 46 H -5.6874 2.2166 -1.9387 H 1 UNL111111111 0.3377 47 H -2.6805 1.0045 -0.7677 H 1 UNL111111111 0.1612 48 H -3.1515 3.4276 0.1769 H 1 UNL111111111 0.1705 49 H -3.3974 2.6217 1.7874 H 1 UNL111111111 0.1332 50 H -1.2251 1.7170 1.3584 H 1 UNL111111111 0.3192 @BOND 1 1 2 1 2 1 28 1 3 2 3 1 4 2 29 1 5 2 30 1 6 3 4 ar 7 3 6 ar 8 4 5 ar 9 5 7 ar 10 6 7 ar 11 6 31 1 12 7 8 1 13 8 9 1 14 8 32 1 15 8 33 1 16 9 10 1 17 9 34 1 18 9 35 1 19 10 11 ar 20 10 15 ar 21 11 12 ar 22 11 36 1 23 12 13 ar 24 12 38 1 25 13 14 ar 26 13 16 1 27 14 15 ar 28 14 39 1 29 15 37 1 30 16 17 1 31 17 18 1 32 17 25 1 33 17 40 1 34 18 19 1 35 18 20 1 36 18 41 1 37 19 42 1 38 20 21 1 39 20 22 1 40 20 43 1 41 21 44 1 42 22 23 1 43 22 24 1 44 22 45 1 45 23 46 1 46 24 25 1 47 24 26 1 48 24 47 1 49 26 27 1 50 26 48 1 51 26 49 1 52 27 50 1