@MOLECULE 5-bromo-1h-indol-3-yl alpha-l-talopyranoside 38 40 0 0 0 SMALL GASTEIGER @ATOM 1 BR -4.7757 -1.2734 -0.4329 Br 1 UNL11111111 -0.0633 2 O 2.3622 0.5320 -0.0344 O.3 1 UNL11111111 -0.4681 3 O 0.7082 -0.3358 1.2431 O.3 1 UNL11111111 -0.2936 4 O 4.5830 -2.8935 0.1742 O.3 1 UNL11111111 -0.5418 5 O 5.7727 -0.3721 -0.6867 O.3 1 UNL11111111 -0.5505 6 O 1.9607 -2.2571 -0.2359 O.3 1 UNL11111111 -0.5324 7 O 3.1061 2.8599 -1.2450 O.3 1 UNL11111111 -0.5373 8 N -0.6616 2.9498 0.7372 N.ar 1 UNL11111111 -0.3568 9 C 4.1164 -1.6246 0.5512 C.3 1 UNL11111111 0.0434 10 C 4.3901 -0.6409 -0.6085 C.3 1 UNL11111111 0.0490 11 C 2.6059 -1.6787 0.8715 C.3 1 UNL11111111 0.0363 12 C 3.7397 0.7269 -0.3233 C.3 1 UNL11111111 0.0480 13 C 2.1175 -0.2387 1.1276 C.3 1 UNL11111111 0.2413 14 C 3.7019 1.6245 -1.5702 C.3 1 UNL11111111 -0.0112 15 C 0.0428 0.8156 0.9832 C.ar 1 UNL11111111 0.1363 16 C -1.3307 0.7665 0.5716 C.ar 1 UNL11111111 -0.1304 17 C -1.7395 2.1341 0.4250 C.ar 1 UNL11111111 0.1294 18 C 0.4348 2.1416 1.0781 C.ar 1 UNL11111111 -0.1481 19 C -2.2374 -0.2669 0.3181 C.ar 1 UNL11111111 -0.0722 20 C -3.0452 2.4692 0.0258 C.ar 1 UNL11111111 -0.2106 21 C -3.5079 0.0943 -0.0733 C.ar 1 UNL11111111 -0.0767 22 C -3.9230 1.4336 -0.2217 C.ar 1 UNL11111111 -0.1005 23 H 4.7317 -1.3787 1.4460 H 1 UNL11111111 0.1595 24 H 4.0598 -1.0702 -1.5797 H 1 UNL11111111 0.1432 25 H 2.3754 -2.3702 1.7122 H 1 UNL11111111 0.1728 26 H 4.2328 1.2458 0.5280 H 1 UNL11111111 0.1516 27 H 2.5381 0.2540 2.0254 H 1 UNL11111111 0.1312 28 H 3.1424 1.1595 -2.4014 H 1 UNL11111111 0.1305 29 H 4.7253 1.8925 -1.8994 H 1 UNL11111111 0.1639 30 H 3.9105 -3.3509 -0.3878 H 1 UNL11111111 0.3410 31 H 6.2742 -1.2201 -0.6679 H 1 UNL11111111 0.3392 32 H 1.5854 -1.5536 -0.8197 H 1 UNL11111111 0.3422 33 H 1.3823 2.5647 1.3455 H 1 UNL11111111 0.1798 34 H 2.2036 2.7082 -0.8846 H 1 UNL11111111 0.3237 35 H -0.6486 3.9420 0.6968 H 1 UNL11111111 0.3195 36 H -1.9189 -1.3039 0.4346 H 1 UNL11111111 0.1797 37 H -3.3450 3.5065 -0.0807 H 1 UNL11111111 0.1645 38 H -4.9452 1.6557 -0.5345 H 1 UNL11111111 0.1675 @BOND 1 1 21 1 2 2 12 1 3 2 13 1 4 3 13 1 5 3 15 1 6 4 9 1 7 4 30 1 8 5 10 1 9 5 31 1 10 6 11 1 11 6 32 1 12 7 14 1 13 7 34 1 14 8 17 ar 15 8 18 ar 16 8 35 1 17 9 10 1 18 9 11 1 19 9 23 1 20 10 12 1 21 10 24 1 22 11 13 1 23 11 25 1 24 12 14 1 25 12 26 1 26 13 27 1 27 14 28 1 28 14 29 1 29 15 16 ar 30 15 18 ar 31 16 17 ar 32 16 19 ar 33 17 20 ar 34 18 33 1 35 19 21 ar 36 19 36 1 37 20 22 ar 38 20 37 1 39 21 22 ar 40 22 38 1