@MOLECULE 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-{[2-(2-methyl-2-propanyl)phenyl]amino}-1,8-naphthyridine-3-carboxylic acid 55 58 0 0 0 SMALL GASTEIGER @ATOM 1 C 4.7039 2.1866 0.9701 C.3 1 UNL1111 -0.4344 2 C 4.9597 0.8092 0.5224 C.ar 1 UNL1111 0.2092 3 N 6.1505 0.2245 0.5836 N.ar 1 UNL1111 -0.2845 4 O 6.0429 -1.0586 0.0771 O.2 1 UNL1111 0.0170 5 C 4.7410 -1.2709 -0.3027 C.ar 1 UNL1111 0.1574 6 C 4.4910 -2.5992 -0.8650 C.3 1 UNL1111 -0.4599 7 C 3.9945 -0.1362 -0.0491 C.ar 1 UNL1111 -0.2749 8 C 2.5909 0.1209 -0.2683 C.ar 1 UNL1111 0.3229 9 C 1.6909 -0.9144 -0.6505 C.ar 1 UNL1111 -0.3278 10 C 0.3514 -0.6295 -0.7721 C.ar 1 UNL1111 -0.0029 11 C -0.1424 0.6669 -0.5186 C.ar 1 UNL1111 -0.3075 12 C -1.5328 1.0666 -0.5096 C.ar 1 UNL1111 0.4023 13 N -2.5841 0.2207 -0.6176 N.pl3 1 UNL1111 -0.4579 14 C -2.5384 -1.2054 -0.7123 C.ar 1 UNL1111 0.1028 15 C -2.5861 -1.7154 -2.0197 C.ar 1 UNL1111 -0.1623 16 C -2.5529 -3.0860 -2.2318 C.ar 1 UNL1111 -0.1498 17 C -2.4649 -3.9404 -1.1349 C.ar 1 UNL1111 -0.1403 18 C -2.4491 -3.4252 0.1569 C.ar 1 UNL1111 -0.1683 19 C -2.5165 -2.0487 0.4129 C.ar 1 UNL1111 -0.0126 20 C -2.5542 -1.5496 1.8497 C.3 1 UNL1111 0.1234 21 C -2.8661 -2.6902 2.8426 C.3 1 UNL1111 -0.4627 22 C -1.1787 -0.9716 2.2187 C.3 1 UNL1111 -0.4669 23 C -3.6536 -0.4890 2.0351 C.3 1 UNL1111 -0.4613 24 C -1.8122 2.4520 -0.3484 C.ar 1 UNL1111 -0.4789 25 C -0.7350 3.3629 -0.1488 C.ar 1 UNL1111 0.2156 26 N 0.5278 3.0084 -0.0680 N.ar 1 UNL1111 -0.4356 27 C 0.8414 1.6695 -0.2307 C.ar 1 UNL1111 0.4188 28 C -3.1595 2.9663 -0.3560 C.2 1 UNL1111 0.7067 29 O -3.2188 4.3176 -0.2242 O.3 1 UNL1111 -0.5473 30 O -4.2004 2.3407 -0.4572 O.2 1 UNL1111 -0.5990 31 N 2.1660 1.3771 -0.0909 N.ar 1 UNL1111 -0.4271 32 H 4.2874 2.8002 0.1444 H 1 UNL1111 0.2024 33 H 3.9248 2.2165 1.7543 H 1 UNL1111 0.1887 34 H 5.6027 2.6880 1.3552 H 1 UNL1111 0.1667 35 H 5.4225 -3.1709 -1.0271 H 1 UNL1111 0.1807 36 H 3.8583 -3.2120 -0.1973 H 1 UNL1111 0.1833 37 H 3.9826 -2.5407 -1.8445 H 1 UNL1111 0.1849 38 H 2.0593 -1.9161 -0.8358 H 1 UNL1111 0.1723 39 H -0.3203 -1.4345 -1.0752 H 1 UNL1111 0.1693 40 H -3.5447 0.6238 -0.6011 H 1 UNL1111 0.3707 41 H -2.6437 -1.0279 -2.8656 H 1 UNL1111 0.1733 42 H -2.5914 -3.4878 -3.2424 H 1 UNL1111 0.1579 43 H -2.4163 -5.0177 -1.2877 H 1 UNL1111 0.1528 44 H -2.3834 -4.1326 0.9848 H 1 UNL1111 0.1628 45 H -2.0679 -3.4387 2.8724 H 1 UNL1111 0.1440 46 H -2.9639 -2.3002 3.8633 H 1 UNL1111 0.1535 47 H -3.8085 -3.1906 2.5965 H 1 UNL1111 0.1478 48 H -0.9861 -0.0129 1.7276 H 1 UNL1111 0.1549 49 H -1.1037 -0.7880 3.2970 H 1 UNL1111 0.1569 50 H -0.3666 -1.6529 1.9430 H 1 UNL1111 0.1496 51 H -4.5765 -0.7736 1.5190 H 1 UNL1111 0.1504 52 H -3.9007 -0.3549 3.0952 H 1 UNL1111 0.1540 53 H -3.3539 0.4999 1.6737 H 1 UNL1111 0.1557 54 H -0.9425 4.4432 -0.0356 H 1 UNL1111 0.1937 55 H -4.1492 4.6593 -0.2291 H 1 UNL1111 0.3596 @BOND 1 1 2 1 2 1 32 1 3 1 33 1 4 1 34 1 5 2 3 ar 6 2 7 ar 7 3 4 ar 8 4 5 ar 9 5 6 1 10 5 7 ar 11 6 35 1 12 6 36 1 13 6 37 1 14 7 8 1 15 8 9 ar 16 8 31 ar 17 9 10 ar 18 9 38 1 19 10 11 ar 20 10 39 1 21 11 12 ar 22 11 27 ar 23 12 13 1 24 12 24 ar 25 13 14 1 26 13 40 1 27 14 15 ar 28 14 19 ar 29 15 16 ar 30 15 41 1 31 16 17 ar 32 16 42 1 33 17 18 ar 34 17 43 1 35 18 19 ar 36 18 44 1 37 19 20 1 38 20 21 1 39 20 22 1 40 20 23 1 41 21 45 1 42 21 46 1 43 21 47 1 44 22 48 1 45 22 49 1 46 22 50 1 47 23 51 1 48 23 52 1 49 23 53 1 50 24 25 ar 51 24 28 1 52 25 26 ar 53 25 54 1 54 26 27 ar 55 27 31 ar 56 28 29 1 57 28 30 2 58 29 55 1