@MOLECULE 5-cyclopropyl-2-(4-fluorophenyl)-6-{[2-(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-3-yl)ethyl](methylsulfonyl)amino}-n-methyl-1-benzofuran-3-carboxamide 68 73 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.2724 -3.0658 2.3691 O.2 1 UNL1111111111 -0.9041 2 S -2.4460 -2.4185 1.8360 S.O2 1 UNL1111111111 2.3818 3 O -3.5463 -3.1901 1.3082 O.2 1 UNL1111111111 -0.9169 4 C -3.0832 -1.2844 3.0395 C.3 1 UNL1111111111 -0.7306 5 N -1.9143 -1.3399 0.5683 N.pl3 1 UNL1111111111 -0.7988 6 C -0.5339 -1.3048 0.2093 C.ar 1 UNL1111111111 0.2143 7 C 0.1765 -0.1984 0.6961 C.ar 1 UNL1111111111 -0.2147 8 C 1.5093 -0.1260 0.3425 C.ar 1 UNL1111111111 0.1306 9 O 2.3842 0.8841 0.6998 O.2 1 UNL1111111111 -0.2129 10 C 0.0885 -2.2861 -0.6059 C.ar 1 UNL1111111111 -0.0408 11 C -0.6866 -3.4375 -1.1157 C.3 1 UNL1111111111 -0.1716 12 C -0.8579 -4.6726 -0.2495 C.3 1 UNL1111111111 -0.2898 13 C -0.0093 -4.7474 -1.4876 C.3 1 UNL1111111111 -0.3208 14 C 1.4345 -2.1652 -0.9483 C.ar 1 UNL1111111111 -0.1369 15 C 2.1634 -1.0874 -0.4623 C.ar 1 UNL1111111111 -0.0681 16 C 3.5296 -0.6243 -0.5802 C.ar 1 UNL1111111111 -0.2700 17 C 4.5971 -1.3168 -1.3106 C.2 1 UNL1111111111 0.6286 18 N 4.6847 -2.6704 -1.0704 N.am 1 UNL1111111111 -0.5709 19 C 5.6943 -3.4797 -1.7487 C.3 1 UNL1111111111 -0.2238 20 O 5.3662 -0.7631 -2.0762 O.2 1 UNL1111111111 -0.5558 21 C 3.6077 0.5582 0.1104 C.ar 1 UNL1111111111 0.2442 22 C 4.6379 1.5297 0.3930 C.ar 1 UNL1111111111 -0.1149 23 C 5.6225 1.8101 -0.5625 C.ar 1 UNL1111111111 -0.0455 24 C 6.6086 2.7538 -0.2927 C.ar 1 UNL1111111111 -0.2393 25 C 4.6312 2.1997 1.6250 C.ar 1 UNL1111111111 -0.0583 26 C 5.6062 3.1482 1.9113 C.ar 1 UNL1111111111 -0.2482 27 C 6.5761 3.4033 0.9405 C.ar 1 UNL1111111111 0.2357 28 F 7.5084 4.3055 1.2042 F 1 UNL1111111111 -0.1738 29 C -2.8393 -0.9807 -0.5206 C.3 1 UNL1111111111 -0.0377 30 C -3.0118 0.5527 -0.5068 C.3 1 UNL1111111111 -0.3186 31 C -4.2320 0.9593 -1.3348 C.3 1 UNL1111111111 0.1219 32 O -5.3537 0.2265 -0.8342 O.3 1 UNL1111111111 -0.4293 33 B -6.3043 1.1505 -0.2973 B 1 UNL1111111111 0.4217 34 O -7.4688 0.7345 0.3110 O.3 1 UNL1111111111 -0.5085 35 C -5.7910 2.6056 -0.5149 C.ar 1 UNL1111111111 -0.0858 36 C -6.2698 3.8691 -0.2327 C.ar 1 UNL1111111111 -0.1110 37 C -5.4907 4.9717 -0.6045 C.ar 1 UNL1111111111 -0.1666 38 C -4.2665 4.7924 -1.2464 C.ar 1 UNL1111111111 -0.1297 39 C -3.7846 3.5100 -1.5315 C.ar 1 UNL1111111111 -0.1694 40 C -4.5548 2.4220 -1.1572 C.ar 1 UNL1111111111 -0.0730 41 H -2.2861 -0.6938 3.5108 H 1 UNL1111111111 0.1899 42 H -3.8010 -0.5767 2.6013 H 1 UNL1111111111 0.1911 43 H -3.6107 -1.8136 3.8447 H 1 UNL1111111111 0.1878 44 H -0.3007 0.5582 1.3110 H 1 UNL1111111111 0.1809 45 H -1.5404 -3.1300 -1.7374 H 1 UNL1111111111 0.1627 46 H -0.3866 -4.7016 0.7362 H 1 UNL1111111111 0.1851 47 H -1.8246 -5.1695 -0.2091 H 1 UNL1111111111 0.1652 48 H -0.3627 -5.2937 -2.3572 H 1 UNL1111111111 0.1537 49 H 1.0664 -4.8567 -1.3921 H 1 UNL1111111111 0.1536 50 H 1.9076 -2.8968 -1.6021 H 1 UNL1111111111 0.1688 51 H 4.0711 -3.1363 -0.4250 H 1 UNL1111111111 0.3151 52 H 6.4014 -2.8385 -2.3141 H 1 UNL1111111111 0.1759 53 H 6.2790 -4.0635 -1.0181 H 1 UNL1111111111 0.1369 54 H 5.2215 -4.1703 -2.4687 H 1 UNL1111111111 0.1368 55 H 5.6177 1.2850 -1.5287 H 1 UNL1111111111 0.2034 56 H 7.3803 2.9734 -1.0292 H 1 UNL1111111111 0.1809 57 H 3.8582 1.9735 2.3626 H 1 UNL1111111111 0.1651 58 H 5.6108 3.6729 2.8644 H 1 UNL1111111111 0.1756 59 H -2.4637 -1.3127 -1.5129 H 1 UNL1111111111 0.1297 60 H -3.8290 -1.4836 -0.3840 H 1 UNL1111111111 0.1764 61 H -3.1235 0.9098 0.5358 H 1 UNL1111111111 0.1609 62 H -2.1014 1.0476 -0.8933 H 1 UNL1111111111 0.1554 63 H -4.1431 0.6595 -2.4034 H 1 UNL1111111111 0.1489 64 H -7.6041 -0.2220 0.3534 H 1 UNL1111111111 0.3418 65 H -7.2282 4.0094 0.2645 H 1 UNL1111111111 0.1603 66 H -5.8471 5.9774 -0.3913 H 1 UNL1111111111 0.1509 67 H -3.6749 5.6610 -1.5314 H 1 UNL1111111111 0.1489 68 H -2.8295 3.3791 -2.0324 H 1 UNL1111111111 0.1557 @BOND 1 2 4 1 2 2 1 2 3 3 2 2 4 4 41 1 5 4 42 1 6 4 43 1 7 5 2 1 8 6 7 ar 9 6 5 1 10 7 44 1 11 8 9 ar 12 8 7 ar 13 10 6 ar 14 11 10 1 15 11 45 1 16 12 11 1 17 12 46 1 18 12 47 1 19 13 12 1 20 13 11 1 21 13 48 1 22 13 49 1 23 14 15 ar 24 14 10 ar 25 14 50 1 26 15 8 ar 27 16 15 ar 28 16 21 ar 29 17 16 1 30 18 17 am 31 18 51 1 32 19 18 1 33 19 52 1 34 19 53 1 35 19 54 1 36 20 17 2 37 21 9 ar 38 22 21 1 39 22 25 ar 40 23 24 ar 41 23 22 ar 42 23 55 1 43 24 27 ar 44 24 56 1 45 25 26 ar 46 25 57 1 47 26 58 1 48 27 28 1 49 27 26 ar 50 29 30 1 51 29 5 1 52 29 59 1 53 29 60 1 54 30 61 1 55 30 62 1 56 31 40 1 57 31 30 1 58 31 63 1 59 32 31 1 60 33 32 1 61 33 35 1 62 34 33 1 63 34 64 1 64 35 36 ar 65 35 40 ar 66 36 37 ar 67 36 65 1 68 37 38 ar 69 37 66 1 70 38 67 1 71 39 38 ar 72 39 68 1 73 40 39 ar