@MOLECULE 2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-n-(2-hydroxyethoxy)-5-{(e)-[(2-hydroxyethoxy)imino]methyl}benzamide 49 50 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.3648 1.2309 -0.1124 C.ar 1 UNL1111111111 -0.3222 2 C -1.7300 1.0597 0.1453 C.ar 1 UNL1111111111 -0.0048 3 C -2.2693 -0.1757 0.4709 C.ar 1 UNL1111111111 -0.1616 4 C -1.3994 -1.2803 0.5269 C.ar 1 UNL1111111111 0.2562 5 C 4.8206 -2.6072 0.2767 C.ar 1 UNL1111111111 0.0609 6 C 6.6776 -4.3829 0.7927 C.1 1 UNL1111111111 -0.1538 7 C 3.5294 -1.3292 -1.2897 C.ar 1 UNL1111111111 0.1647 8 C -6.3819 -2.1766 -0.4091 C.3 1 UNL1111111111 -0.1177 9 C 0.5098 0.1040 -0.1310 C.ar 1 UNL1111111111 0.3178 10 N 1.8060 0.2330 -0.5318 N.pl3 1 UNL1111111111 -0.4457 11 C 2.8057 -0.7311 -0.2443 C.ar 1 UNL1111111111 0.0965 12 F -1.8676 -2.4632 0.8659 F 1 UNL1111111111 -0.1215 13 C -0.0539 -1.1531 0.2361 C.ar 1 UNL1111111111 -0.0619 14 F 0.7022 -2.2372 0.2671 F 1 UNL1111111111 -0.1140 15 C 3.1175 -1.0791 1.0760 C.ar 1 UNL1111111111 -0.1415 16 C 4.1147 -2.0120 1.3322 C.ar 1 UNL1111111111 -0.1495 17 C 5.8207 -3.5604 0.5525 C.1 1 UNL1111111111 -0.0949 18 C 4.5331 -2.2608 -1.0493 C.ar 1 UNL1111111111 -0.1938 19 F 3.2492 -0.9988 -2.5380 F 1 UNL1111111111 -0.1376 20 C -3.7025 -0.3164 0.7469 C.2 1 UNL1111111111 -0.0348 21 N -4.3881 -1.1475 0.0325 N.2 1 UNL1111111111 -0.1613 22 O -5.7155 -1.1847 0.4031 O.2 1 UNL1111111111 -0.2116 23 C -7.8577 -1.9042 -0.1236 C.3 1 UNL1111111111 -0.0256 24 O -8.3234 -0.8148 -0.8911 O.3 1 UNL1111111111 -0.5357 25 C 0.1948 2.5736 -0.3535 C.2 1 UNL1111111111 0.6202 26 O 1.2599 2.7484 -0.9329 O.2 1 UNL1111111111 -0.5703 27 N -0.4562 3.6519 0.2509 N.am 1 UNL1111111111 -0.4513 28 O -0.0566 4.8947 -0.2466 O.3 1 UNL1111111111 -0.1095 29 C 0.6296 5.6653 0.7412 C.3 1 UNL1111111111 -0.1543 30 C 2.0043 5.0826 1.0824 C.3 1 UNL1111111111 -0.0195 31 O 2.7268 4.8477 -0.0993 O.3 1 UNL1111111111 -0.5559 32 H -2.4080 1.9151 0.0801 H 1 UNL1111111111 0.1539 33 H 7.4057 -5.0814 0.9961 H 1 UNL1111111111 0.1883 34 H -6.1269 -2.0366 -1.4751 H 1 UNL1111111111 0.1627 35 H -6.0530 -3.1783 -0.0875 H 1 UNL1111111111 0.1466 36 H 2.1133 1.1321 -0.9403 H 1 UNL1111111111 0.3719 37 H 2.5721 -0.6185 1.9012 H 1 UNL1111111111 0.1729 38 H 4.3518 -2.2878 2.3601 H 1 UNL1111111111 0.1686 39 H 5.0825 -2.7218 -1.8713 H 1 UNL1111111111 0.1866 40 H -4.1047 0.3040 1.5581 H 1 UNL1111111111 0.1639 41 H -8.5011 -2.7436 -0.4508 H 1 UNL1111111111 0.1544 42 H -8.0423 -1.6904 0.9463 H 1 UNL1111111111 0.1317 43 H -7.7152 -0.0532 -0.7900 H 1 UNL1111111111 0.3185 44 H -1.4521 3.6725 0.3983 H 1 UNL1111111111 0.3043 45 H 0.7255 6.6160 0.1745 H 1 UNL1111111111 0.1654 46 H 0.0054 5.8164 1.6337 H 1 UNL1111111111 0.1327 47 H 2.6258 5.8050 1.6428 H 1 UNL1111111111 0.1387 48 H 1.9179 4.1433 1.6581 H 1 UNL1111111111 0.1207 49 H 2.2803 4.1194 -0.6004 H 1 UNL1111111111 0.3525 @BOND 1 1 2 ar 2 2 3 ar 3 2 32 1 4 3 20 1 5 4 3 ar 6 4 12 1 7 5 16 ar 8 6 17 3 9 6 33 1 10 7 11 ar 11 8 23 1 12 8 34 1 13 8 35 1 14 9 1 ar 15 9 13 ar 16 10 9 1 17 10 36 1 18 11 10 1 19 11 15 ar 20 13 4 ar 21 14 13 1 22 15 37 1 23 16 15 ar 24 16 38 1 25 17 5 1 26 18 5 ar 27 18 7 ar 28 18 39 1 29 19 7 1 30 20 21 2 31 20 40 1 32 21 22 1 33 22 8 1 34 23 24 1 35 23 41 1 36 23 42 1 37 24 43 1 38 25 1 1 39 25 27 am 40 26 25 2 41 27 44 1 42 28 27 1 43 29 28 1 44 29 45 1 45 29 46 1 46 30 29 1 47 30 47 1 48 30 48 1 49 31 30 1 50 31 49 1