@MOLECULE 3-[(3-chlorophenyl)ethynyl]-2-{4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl}-6-hydroxy-1-benzofuran-5-carboxylic acid 56 60 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.7360 -3.0486 0.0404 C.ar 1 UNL1111111111 -0.3484 2 C -5.9907 -2.4154 0.0168 C.ar 1 UNL1111111111 0.4089 3 C -6.1287 -1.0031 -0.0330 C.ar 1 UNL1111111111 -0.3657 4 C -4.9913 -0.1796 -0.0539 C.ar 1 UNL1111111111 0.0542 5 C -3.7479 -0.7765 -0.0280 C.ar 1 UNL1111111111 -0.1669 6 C -3.6517 -2.2003 0.0164 C.ar 1 UNL1111111111 0.2583 7 C -2.3746 -0.3025 -0.0325 C.ar 1 UNL1111111111 -0.0955 8 C -1.5724 -1.4214 -0.0030 C.ar 1 UNL1111111111 0.1975 9 O -2.3355 -2.5981 0.0314 O.2 1 UNL1111111111 -0.2090 10 C -0.1509 -1.6332 0.0090 C.ar 1 UNL1111111111 -0.1419 11 C 0.3909 -2.7937 0.5894 C.ar 1 UNL1111111111 -0.0393 12 C 1.7608 -2.9791 0.6270 C.ar 1 UNL1111111111 -0.2515 13 C 2.5966 -1.9902 0.0750 C.ar 1 UNL1111111111 0.2681 14 C 2.0785 -0.8375 -0.5167 C.ar 1 UNL1111111111 -0.3108 15 C 0.6976 -0.6706 -0.5482 C.ar 1 UNL1111111111 -0.0342 16 O 3.9118 -2.3026 0.1970 O.3 1 UNL1111111111 -0.2585 17 C 4.8396 -1.3676 -0.3494 C.3 1 UNL1111111111 -0.1630 18 C 6.1941 -2.0448 -0.1473 C.2 1 UNL1111111111 0.5659 19 N 7.2627 -1.1622 -0.1246 N.am 1 UNL1111111111 -0.5997 20 O 6.3492 -3.2370 -0.0452 O.2 1 UNL1111111111 -0.4612 21 C 8.6042 -1.6649 0.0247 C.3 1 UNL1111111111 0.0732 22 C 9.7151 -1.0136 -0.7821 C.3 1 UNL1111111111 -0.3568 23 C 9.6315 -0.7810 0.7093 C.3 1 UNL1111111111 -0.3549 24 C -1.9431 1.0161 -0.0320 C.1 1 UNL1111111111 -0.0086 25 C -1.4975 2.1478 -0.0201 C.1 1 UNL1111111111 -0.1170 26 C -0.9284 3.4309 -0.0022 C.ar 1 UNL1111111111 0.0650 27 C -1.7288 4.5793 -0.0745 C.ar 1 UNL1111111111 -0.1522 28 C -1.1431 5.8428 -0.0560 C.ar 1 UNL1111111111 -0.1220 29 C 0.2425 5.9794 0.0318 C.ar 1 UNL1111111111 -0.1742 30 C 1.0126 4.8258 0.1007 C.ar 1 UNL1111111111 0.0311 31 CL 2.7163 4.9770 0.2038 Cl 1 UNL1111111111 -0.0943 32 C 0.4671 3.5520 0.0891 C.ar 1 UNL1111111111 -0.1750 33 C -7.4613 -0.4255 -0.0636 C.2 1 UNL1111111111 0.6874 34 O -8.5210 -1.0250 -0.0453 O.2 1 UNL1111111111 -0.5750 35 O -7.4595 0.9274 -0.1201 O.3 1 UNL1111111111 -0.5348 36 O -7.0428 -3.2403 0.0452 O.3 1 UNL1111111111 -0.4555 37 H -4.6529 -4.1299 0.0740 H 1 UNL1111111111 0.2033 38 H -5.0934 0.9094 -0.0901 H 1 UNL1111111111 0.1823 39 H -0.2768 -3.5466 1.0154 H 1 UNL1111111111 0.1669 40 H 2.2047 -3.8690 1.0718 H 1 UNL1111111111 0.1839 41 H 2.7190 -0.0780 -0.9506 H 1 UNL1111111111 0.1665 42 H 0.2738 0.2211 -1.0171 H 1 UNL1111111111 0.1629 43 H 4.6476 -1.2230 -1.4305 H 1 UNL1111111111 0.1625 44 H 4.7545 -0.4086 0.1927 H 1 UNL1111111111 0.1536 45 H 7.1466 -0.1672 -0.2050 H 1 UNL1111111111 0.3094 46 H 8.6296 -2.7567 0.1936 H 1 UNL1111111111 0.1933 47 H 10.5081 -1.6332 -1.1913 H 1 UNL1111111111 0.1665 48 H 9.4936 -0.2030 -1.4684 H 1 UNL1111111111 0.1603 49 H 9.3522 0.1966 1.0884 H 1 UNL1111111111 0.1602 50 H 10.3657 -1.2326 1.3710 H 1 UNL1111111111 0.1671 51 H -2.8116 4.4762 -0.1440 H 1 UNL1111111111 0.1677 52 H -1.7704 6.7328 -0.1102 H 1 UNL1111111111 0.1599 53 H 0.7008 6.9676 0.0466 H 1 UNL1111111111 0.1729 54 H 1.0913 2.6612 0.1528 H 1 UNL1111111111 0.1776 55 H -8.3748 1.3124 -0.1417 H 1 UNL1111111111 0.3609 56 H -7.9214 -2.7314 0.0234 H 1 UNL1111111111 0.3785 @BOND 1 1 2 ar 2 1 6 ar 3 1 37 1 4 2 3 ar 5 3 33 1 6 3 4 ar 7 4 38 1 8 5 7 ar 9 5 4 ar 10 6 5 ar 11 7 24 1 12 8 7 ar 13 9 6 ar 14 9 8 ar 15 10 8 1 16 10 11 ar 17 11 39 1 18 12 11 ar 19 12 40 1 20 13 16 1 21 13 12 ar 22 14 15 ar 23 14 13 ar 24 14 41 1 25 15 10 ar 26 15 42 1 27 17 16 1 28 17 18 1 29 17 43 1 30 17 44 1 31 18 20 2 32 18 19 am 33 19 21 1 34 19 45 1 35 21 23 1 36 21 46 1 37 22 21 1 38 22 23 1 39 22 47 1 40 22 48 1 41 23 49 1 42 23 50 1 43 24 25 3 44 25 26 1 45 26 32 ar 46 27 28 ar 47 27 26 ar 48 27 51 1 49 28 29 ar 50 28 52 1 51 29 30 ar 52 29 53 1 53 30 31 1 54 32 30 ar 55 32 54 1 56 33 35 1 57 34 33 2 58 35 55 1 59 36 2 1 60 36 56 1