@MOLECULE 2-(3-acetoxy-2-{[(3-acetoxy-2-pyridinyl)carbonyl](acetyl)amino}phenyl)-1,3-benzoxazole-4-carboxylic acid 57 60 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.6736 -1.5786 1.9260 O.2 1 UNL11 -0.2024 2 O -3.2271 -1.8347 -1.1101 O.3 1 UNL11 -0.4286 3 O -1.0098 0.1379 1.7148 O.2 1 UNL11 -0.4333 4 O -0.8547 1.0276 -2.1759 O.2 1 UNL11 -0.4494 5 O -2.1330 2.9129 1.2659 O.3 1 UNL11 -0.4043 6 O 4.5044 -1.1842 -2.1816 O.3 1 UNL11 -0.5174 7 O 4.8313 1.0209 -2.1555 O.2 1 UNL11 -0.5083 8 O -4.2996 -0.8899 0.6351 O.2 1 UNL11 -0.4817 9 O -3.4405 2.3617 -0.4858 O.2 1 UNL11 -0.4931 10 N -0.8839 -0.4571 -0.4677 N.am 1 UNL11 -0.5663 11 N 2.0907 -1.5481 -0.3170 N.ar 1 UNL11 -0.3797 12 N 0.9976 1.9012 -0.2823 N.ar 1 UNL11 -0.3173 13 C -1.0746 -1.8180 -0.0879 C.ar 1 UNL11 0.1689 14 C -0.0438 -2.5549 0.5227 C.ar 1 UNL11 -0.0531 15 C 1.2625 -1.9308 0.6315 C.ar 1 UNL11 0.3141 16 C -2.3077 -2.4535 -0.3053 C.ar 1 UNL11 0.2017 17 C 3.1173 -0.8349 0.3305 C.ar 1 UNL11 0.1219 18 C 2.8349 -0.8608 1.7306 C.ar 1 UNL11 0.0714 19 C -0.2793 -3.8505 0.9793 C.ar 1 UNL11 -0.1147 20 C -2.5502 -3.7485 0.1454 C.ar 1 UNL11 -0.1619 21 C -1.5320 -4.4371 0.8008 C.ar 1 UNL11 -0.1329 22 C 4.2129 -0.1113 -0.1266 C.ar 1 UNL11 -0.0986 23 C -0.7446 0.4728 0.5876 C.2 1 UNL11 0.6011 24 C -0.6950 -0.1177 -1.8499 C.2 1 UNL11 0.6565 25 C 3.6021 -0.2109 2.6772 C.ar 1 UNL11 -0.1332 26 C 4.9938 0.5554 0.8194 C.ar 1 UNL11 -0.1121 27 C -0.2415 1.8347 0.2419 C.ar 1 UNL11 0.0265 28 C 4.6981 0.5009 2.1883 C.ar 1 UNL11 -0.1475 29 C -0.3093 -1.2341 -2.7583 C.3 1 UNL11 -0.5262 30 C -0.9939 2.9857 0.5148 C.ar 1 UNL11 0.2023 31 C 4.5332 0.0178 -1.5576 C.2 1 UNL11 0.6560 32 C -4.1425 -0.9651 -0.5494 C.2 1 UNL11 0.6541 33 C -0.4877 4.2421 0.1713 C.ar 1 UNL11 -0.1428 34 C 1.4958 3.1064 -0.5964 C.ar 1 UNL11 0.0364 35 C 0.7778 4.2998 -0.4001 C.ar 1 UNL11 -0.1814 36 C -4.8252 -0.2464 -1.6500 C.3 1 UNL11 -0.5184 37 C -3.3095 2.4750 0.6997 C.2 1 UNL11 0.6464 38 C -4.2801 2.2123 1.7886 C.3 1 UNL11 -0.5097 39 H 0.5193 -4.4046 1.4742 H 1 UNL11 0.1688 40 H -3.5263 -4.2038 -0.0151 H 1 UNL11 0.1725 41 H -1.7143 -5.4455 1.1729 H 1 UNL11 0.1620 42 H 3.3541 -0.2384 3.7351 H 1 UNL11 0.1760 43 H 5.8492 1.1450 0.4812 H 1 UNL11 0.1687 44 H 5.3359 1.0416 2.8878 H 1 UNL11 0.1609 45 H 0.6634 -1.6705 -2.4498 H 1 UNL11 0.2136 46 H -0.1866 -0.8693 -3.7899 H 1 UNL11 0.1852 47 H -1.0501 -2.0448 -2.7739 H 1 UNL11 0.1808 48 H -1.0759 5.1384 0.3585 H 1 UNL11 0.1751 49 H 2.5061 3.1028 -1.0272 H 1 UNL11 0.1869 50 H 1.2133 5.2522 -0.6926 H 1 UNL11 0.1671 51 H -4.3745 0.7640 -1.7796 H 1 UNL11 0.2283 52 H -5.8915 -0.0945 -1.4286 H 1 UNL11 0.1843 53 H -4.7378 -0.7535 -2.6226 H 1 UNL11 0.1867 54 H 4.6688 -1.1170 -3.1560 H 1 UNL11 0.3458 55 H -3.9491 2.5991 2.7665 H 1 UNL11 0.1928 56 H -5.2678 2.6370 1.5590 H 1 UNL11 0.1823 57 H -4.4110 1.1145 1.9128 H 1 UNL11 0.2190 @BOND 1 1 15 ar 2 1 18 ar 3 2 16 1 4 2 32 1 5 3 23 2 6 4 24 2 7 5 30 1 8 5 37 1 9 6 31 1 10 6 54 1 11 7 31 2 12 8 32 2 13 9 37 2 14 10 13 1 15 10 23 am 16 10 24 am 17 11 15 ar 18 11 17 ar 19 12 27 ar 20 12 34 ar 21 13 14 ar 22 13 16 ar 23 14 15 1 24 14 19 ar 25 16 20 ar 26 17 18 ar 27 17 22 ar 28 18 25 ar 29 19 21 ar 30 19 39 1 31 20 21 ar 32 20 40 1 33 21 41 1 34 22 26 ar 35 22 31 1 36 23 27 1 37 24 29 1 38 25 28 ar 39 25 42 1 40 26 28 ar 41 26 43 1 42 27 30 ar 43 28 44 1 44 29 45 1 45 29 46 1 46 29 47 1 47 30 33 ar 48 32 36 1 49 33 35 ar 50 33 48 1 51 34 35 ar 52 34 49 1 53 35 50 1 54 36 51 1 55 36 52 1 56 36 53 1 57 37 38 1 58 38 55 1 59 38 56 1 60 38 57 1