@MOLECULE n-(5-cyano-4-methoxy-1h-pyrrolo[2,3-d]pyrimidin-2-yl)-4-o-(4-o-methyl-beta-d-glucopyranosyl)-beta-d-glucopyranosylamine 66 69 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.3605 0.6922 -0.4866 O.3 1 UNL11 -0.3893 2 O 0.9952 -0.3204 0.2268 O.3 1 UNL11 -0.4518 3 O -4.1591 -0.5361 0.0225 O.3 1 UNL11 -0.5314 4 O -2.3085 -2.2631 -0.8724 O.3 1 UNL11 -0.5950 5 O -7.5147 0.1261 0.9512 O.3 1 UNL11 -0.3763 6 O 0.2340 -2.9372 -2.0873 O.3 1 UNL11 -0.5342 7 O -3.9026 2.9864 0.4285 O.3 1 UNL11 -0.5398 8 O -6.6181 2.4623 -0.8369 O.3 1 UNL11 -0.5519 9 O 1.3793 2.2905 0.8579 O.3 1 UNL11 -0.5478 10 O -4.8421 -3.0089 1.2395 O.3 1 UNL11 -0.5284 11 O 5.0620 1.9055 -0.8902 O.3 1 UNL11 -0.2545 12 N 2.4361 -1.9587 -0.3401 N.pl3 1 UNL11 -0.4807 13 N 4.5572 -1.9312 0.6072 N.ar 1 UNL11 -0.5800 14 N 3.7043 0.0428 -0.5606 N.ar 1 UNL11 -0.6231 15 N 6.8738 -1.7135 1.3607 N.ar 1 UNL11 -0.3417 16 N 8.5540 2.5582 0.0010 N.1 1 UNL11 -0.2417 17 C -1.3433 -0.1970 -0.0437 C.3 1 UNL11 0.0009 18 C -1.2600 -1.3412 -1.0777 C.3 1 UNL11 0.0661 19 C -0.0301 0.6059 -0.0871 C.3 1 UNL11 0.0413 20 C -3.5153 0.7032 0.3027 C.3 1 UNL11 0.3196 21 C 0.0253 -2.1839 -0.9170 C.3 1 UNL11 0.0561 22 C -4.3856 1.8475 -0.2541 C.3 1 UNL11 0.0348 23 C -5.8845 1.6803 0.0774 C.3 1 UNL11 0.0461 24 C -6.4063 0.2295 0.0780 C.3 1 UNL11 0.0003 25 C 1.2632 -1.2498 -0.8178 C.3 1 UNL11 0.2869 26 C -5.3746 -0.7237 0.7192 C.3 1 UNL11 0.0711 27 C 0.1229 1.6651 1.0137 C.3 1 UNL11 -0.0101 28 C -5.7217 -2.2018 0.4936 C.3 1 UNL11 -0.0243 29 C 3.5910 -1.2486 -0.0777 C.ar 1 UNL11 0.5824 30 C -8.7233 0.6335 0.4121 C.3 1 UNL11 -0.1981 31 C 5.7264 -1.2585 0.7297 C.ar 1 UNL11 0.3530 32 C 5.9826 0.0600 0.2229 C.ar 1 UNL11 -0.3112 33 C 4.8875 0.6672 -0.4280 C.ar 1 UNL11 0.4885 34 C 7.3365 0.3758 0.5704 C.ar 1 UNL11 -0.0510 35 C 7.8525 -0.7147 1.2608 C.ar 1 UNL11 -0.0094 36 C 8.0045 1.5719 0.2599 C.1 1 UNL11 0.1463 37 C 3.9524 2.5198 -1.5582 C.3 1 UNL11 -0.1936 38 H -1.5465 -0.5956 0.9722 H 1 UNL11 0.1544 39 H -1.3586 -0.9483 -2.1166 H 1 UNL11 0.1520 40 H 0.1384 1.0613 -1.0889 H 1 UNL11 0.1519 41 H -3.2918 0.7846 1.3862 H 1 UNL11 0.1400 42 H -0.0615 -2.8724 -0.0477 H 1 UNL11 0.1494 43 H -4.2172 1.9786 -1.3471 H 1 UNL11 0.1531 44 H -6.1265 2.1732 1.0550 H 1 UNL11 0.1829 45 H -6.6792 -0.0965 -0.9474 H 1 UNL11 0.1387 46 H 1.4852 -0.7171 -1.7774 H 1 UNL11 0.1715 47 H -5.2356 -0.5130 1.8041 H 1 UNL11 0.1573 48 H 0.0723 1.2263 2.0260 H 1 UNL11 0.1304 49 H -0.6145 2.4818 0.9094 H 1 UNL11 0.1553 50 H -6.7208 -2.4400 0.9135 H 1 UNL11 0.1673 51 H -5.6819 -2.4843 -0.5729 H 1 UNL11 0.1292 52 H 2.3009 -2.8288 0.1709 H 1 UNL11 0.3322 53 H -3.1423 -1.7696 -0.6911 H 1 UNL11 0.3543 54 H -0.5622 -3.4886 -2.2697 H 1 UNL11 0.3360 55 H -4.4127 3.7824 0.1579 H 1 UNL11 0.3339 56 H -6.5525 2.1165 -1.7499 H 1 UNL11 0.3172 57 H 2.0629 1.5968 0.6786 H 1 UNL11 0.3416 58 H -9.4246 0.5173 1.2489 H 1 UNL11 0.1484 59 H -9.0462 0.0360 -0.4450 H 1 UNL11 0.1218 60 H -8.6269 1.6914 0.1412 H 1 UNL11 0.1456 61 H -3.9259 -2.9338 0.8874 H 1 UNL11 0.3252 62 H 6.9699 -2.5981 1.8126 H 1 UNL11 0.3333 63 H 8.8325 -0.8534 1.6830 H 1 UNL11 0.1835 64 H 3.6037 1.9019 -2.3915 H 1 UNL11 0.1505 65 H 3.1379 2.7081 -0.8475 H 1 UNL11 0.1586 66 H 4.4018 3.4584 -1.9074 H 1 UNL11 0.1562 @BOND 1 1 17 1 2 1 20 1 3 2 19 1 4 2 25 1 5 3 20 1 6 3 26 1 7 4 18 1 8 4 53 1 9 5 24 1 10 5 30 1 11 6 21 1 12 6 54 1 13 7 22 1 14 7 55 1 15 8 23 1 16 8 56 1 17 9 27 1 18 9 57 1 19 10 28 1 20 10 61 1 21 11 33 1 22 11 37 1 23 12 25 1 24 12 29 1 25 12 52 1 26 13 29 ar 27 13 31 ar 28 14 29 ar 29 14 33 ar 30 15 31 ar 31 15 35 ar 32 15 62 1 33 16 36 3 34 17 18 1 35 17 19 1 36 17 38 1 37 18 21 1 38 18 39 1 39 19 27 1 40 19 40 1 41 20 22 1 42 20 41 1 43 21 25 1 44 21 42 1 45 22 23 1 46 22 43 1 47 23 24 1 48 23 44 1 49 24 26 1 50 24 45 1 51 25 46 1 52 26 28 1 53 26 47 1 54 27 48 1 55 27 49 1 56 28 50 1 57 28 51 1 58 30 58 1 59 30 59 1 60 30 60 1 61 31 32 ar 62 32 33 ar 63 32 34 ar 64 34 35 ar 65 34 36 1 66 35 63 1 67 37 64 1 68 37 65 1 69 37 66 1