@MOLECULE 5-[methyl(3-pyridinylmethyl)amino]-2-(propionylamino)benzoic acid 42 43 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.6527 0.4619 0.8192 C.ar 1 UNL111111111 -0.6244 2 C -1.7161 -0.3150 0.2979 C.ar 1 UNL111111111 0.9433 3 C 0.6155 -0.1119 0.9841 C.ar 1 UNL111111111 -0.3009 4 C -0.8342 1.8645 1.1828 C.2 1 UNL111111111 1.3219 5 C -1.4714 -1.6656 -0.0296 C.ar 1 UNL111111111 -0.1283 6 N -2.9644 0.2877 0.1138 N.am 1 UNL111111111 -1.1626 7 C 0.8457 -1.4366 0.6369 C.ar 1 UNL111111111 0.5909 8 O -1.8403 2.5400 1.0897 O.2 1 UNL111111111 -0.8650 9 O 0.2952 2.4317 1.6729 O.3 1 UNL111111111 -0.9254 10 C -0.2164 -2.2158 0.1366 C.ar 1 UNL111111111 -0.4514 11 C -4.1302 -0.3360 -0.3591 C.2 1 UNL111111111 1.1391 12 N 2.1111 -2.1047 0.7709 N.pl3 1 UNL111111111 -0.0067 13 C -5.3250 0.5895 -0.4364 C.3 1 UNL111111111 -0.0046 14 O -4.1607 -1.5041 -0.6592 O.2 1 UNL111111111 -0.8598 15 C 2.9172 -1.9951 -0.4707 C.3 1 UNL111111111 -0.4348 16 C 2.8647 -1.6933 1.9708 C.3 1 UNL111111111 -1.2631 17 C -6.3122 0.0654 -1.4733 C.3 1 UNL111111111 -0.6499 18 C 3.2797 -0.5872 -0.8474 C.ar 1 UNL111111111 -0.7008 19 C 2.3911 0.2164 -1.5646 C.ar 1 UNL111111111 0.9907 20 C 4.5029 -0.0315 -0.4454 C.ar 1 UNL111111111 0.3014 21 C 2.7297 1.5402 -1.8292 C.ar 1 UNL111111111 -0.6549 22 N 4.8362 1.2469 -0.6978 N.ar 1 UNL111111111 -0.7347 23 C 3.9632 2.0201 -1.3695 C.ar 1 UNL111111111 0.6027 24 H 1.4322 0.4993 1.3822 H 1 UNL111111111 0.2832 25 H -2.2802 -2.2921 -0.4191 H 1 UNL111111111 0.0657 26 H -3.0192 1.2856 0.3738 H 1 UNL111111111 0.4071 27 H 0.1700 3.3856 1.9179 H 1 UNL111111111 0.4632 28 H -0.0314 -3.2636 -0.1148 H 1 UNL111111111 0.2053 29 H -5.8057 0.6399 0.5650 H 1 UNL111111111 0.0373 30 H -5.0286 1.6295 -0.6825 H 1 UNL111111111 0.1117 31 H 3.8272 -2.6242 -0.3340 H 1 UNL111111111 0.2175 32 H 2.3350 -2.4851 -1.2880 H 1 UNL111111111 0.2045 33 H 2.2033 -1.7515 2.8527 H 1 UNL111111111 0.3570 34 H 3.6863 -2.4130 2.1279 H 1 UNL111111111 0.3796 35 H 3.2935 -0.6804 1.9224 H 1 UNL111111111 0.4948 36 H -6.6203 -0.9660 -1.2452 H 1 UNL111111111 0.1649 37 H -7.2157 0.6833 -1.5163 H 1 UNL111111111 0.1397 38 H -5.8714 0.0455 -2.4782 H 1 UNL111111111 0.2981 39 H 1.4363 -0.1867 -1.9042 H 1 UNL111111111 -0.2538 40 H 5.2509 -0.6177 0.1000 H 1 UNL111111111 0.1228 41 H 2.0522 2.1907 -2.3752 H 1 UNL111111111 0.1598 42 H 4.2788 3.0558 -1.5387 H 1 UNL111111111 0.0187 @BOND 1 1 2 ar 2 2 6 1 3 2 5 ar 4 3 1 ar 5 3 7 ar 6 3 24 1 7 4 1 1 8 4 9 1 9 5 25 1 10 6 11 am 11 6 26 1 12 7 10 ar 13 8 4 2 14 9 27 1 15 10 5 ar 16 10 28 1 17 11 14 2 18 12 7 1 19 12 15 1 20 13 11 1 21 13 29 1 22 13 30 1 23 15 18 1 24 15 31 1 25 15 32 1 26 16 12 1 27 16 33 1 28 16 34 1 29 16 35 1 30 17 13 1 31 17 36 1 32 17 37 1 33 17 38 1 34 18 20 ar 35 19 18 ar 36 19 21 ar 37 19 39 1 38 20 22 ar 39 20 40 1 40 21 23 ar 41 21 41 1 42 23 22 ar 43 23 42 1