@MOLECULE 4-{[4'-methyl-2'-(propionylamino)-4,5'-bi-1,3-thiazol-2-yl]amino}benzoic acid 42 44 0 0 0 SMALL GASTEIGER @ATOM 1 N -5.9772 0.6801 -0.0874 N.am 1 UNL11111 -0.5768 2 O -6.9007 -1.4140 -0.2233 O.2 1 UNL11111 -0.3763 3 S -3.3474 1.5181 0.1819 S.2 1 UNL11111 0.0975 4 C -9.5287 -0.5647 -0.2534 C.3 1 UNL11111 -0.4181 5 N -4.1897 -0.9380 -0.1871 N.ar 1 UNL11111 -0.4432 6 O 8.2105 1.1049 -1.0236 O.3 1 UNL11111 -0.5642 7 S 1.5464 1.5833 0.5803 S.2 1 UNL11111 0.1857 8 C -7.0724 -0.2311 -0.1785 C.2 1 UNL11111 0.5705 9 N 0.1414 -0.5722 0.0943 N.ar 1 UNL11111 -0.4894 10 O 8.8366 -0.5956 0.2672 O.2 1 UNL11111 -0.5085 11 C -8.4116 0.4725 -0.2057 C.3 1 UNL11111 -0.3431 12 N 2.4234 -1.0905 0.2753 N.pl3 1 UNL11111 -0.4798 13 C -4.6577 0.2881 -0.0585 C.ar 1 UNL11111 0.3172 14 C -2.7958 -0.9916 -0.1028 C.ar 1 UNL11111 0.3074 15 C -2.1682 -2.3217 -0.2280 C.3 1 UNL11111 -0.4355 16 C -2.1625 0.2222 0.0926 C.ar 1 UNL11111 -0.3357 17 C -0.7630 0.4956 0.2230 C.ar 1 UNL11111 0.2609 18 C -0.1784 1.7173 0.4664 C.ar 1 UNL11111 -0.4373 19 C 1.3990 -0.1741 0.2443 C.ar 1 UNL11111 0.2587 20 C 3.7808 -0.7860 0.0762 C.ar 1 UNL11111 0.2697 21 C 4.7211 -1.6286 0.7038 C.ar 1 UNL11111 -0.2737 22 C 6.0733 -1.3533 0.5775 C.ar 1 UNL11111 -0.0142 23 C 6.4989 -0.2533 -0.1776 C.ar 1 UNL11111 -0.2099 24 C 7.9367 0.0144 -0.2540 C.2 1 UNL11111 0.6486 25 C 5.5676 0.5544 -0.8340 C.ar 1 UNL11111 0.0023 26 C 4.2083 0.2862 -0.7209 C.ar 1 UNL11111 -0.2776 27 H -6.1751 1.6759 -0.0391 H 1 UNL11111 0.3225 28 H -10.5166 -0.0927 -0.2831 H 1 UNL11111 0.1457 29 H -9.4386 -1.2131 -1.1368 H 1 UNL11111 0.1627 30 H -9.4991 -1.2287 0.6220 H 1 UNL11111 0.1612 31 H 9.1776 1.3029 -1.0845 H 1 UNL11111 0.3575 32 H -8.4759 1.1425 -1.0881 H 1 UNL11111 0.1667 33 H -8.5309 1.1194 0.6876 H 1 UNL11111 0.1652 34 H 2.1582 -2.0742 0.3552 H 1 UNL11111 0.3377 35 H -1.4461 -2.3424 -1.0644 H 1 UNL11111 0.1852 36 H -1.5863 -2.5719 0.6768 H 1 UNL11111 0.1816 37 H -2.9097 -3.1211 -0.3925 H 1 UNL11111 0.1815 38 H -0.6644 2.6674 0.5805 H 1 UNL11111 0.1965 39 H 4.3884 -2.4754 1.3001 H 1 UNL11111 0.1708 40 H 6.8164 -1.9880 1.0723 H 1 UNL11111 0.1737 41 H 5.9082 1.3974 -1.4440 H 1 UNL11111 0.1749 42 H 3.4974 0.8938 -1.2775 H 1 UNL11111 0.1813 @BOND 1 1 8 am 2 1 27 1 3 2 8 2 4 3 13 ar 5 4 28 1 6 4 29 1 7 4 30 1 8 5 13 ar 9 6 31 1 10 7 19 ar 11 7 18 ar 12 8 11 1 13 9 17 ar 14 10 24 2 15 11 4 1 16 11 32 1 17 11 33 1 18 12 20 1 19 12 19 1 20 12 34 1 21 13 1 1 22 14 5 ar 23 15 14 1 24 15 35 1 25 15 36 1 26 15 37 1 27 16 3 ar 28 16 14 ar 29 17 16 1 30 18 17 ar 31 18 38 1 32 19 9 ar 33 20 21 ar 34 21 22 ar 35 21 39 1 36 22 40 1 37 23 22 ar 38 23 24 1 39 24 6 1 40 25 23 ar 41 25 41 1 42 26 20 ar 43 26 25 ar 44 26 42 1