@MOLECULE 2-(2,4-difluorophenyl)-3-methyl-1-(1h-1,2,4-triazol-1-yl)-3-(6-(1h-1,2,4-triazol-1-yl)pyridazin-3-ylthio)butan-2-ol 49 52 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.7300 1.6671 -0.3866 S.3 1 UNL1111111111 0.0482 2 F 2.6998 -1.3731 -2.2685 F 1 UNL1111111111 -0.1313 3 F 4.9022 -4.0711 0.7991 F 1 UNL1111111111 -0.1566 4 O 1.7844 0.7804 -1.6455 O.3 1 UNL1111111111 -0.5299 5 N 3.6036 2.0212 0.4220 N.ar 1 UNL1111111111 -0.1523 6 N 4.1770 2.2366 -0.7914 N.ar 1 UNL1111111111 -0.2980 7 N 5.7269 2.5068 0.8365 N.ar 1 UNL1111111111 -0.3981 8 N -3.0672 0.7120 -1.1506 N.ar 1 UNL1111111111 -0.0710 9 N -4.2752 0.2863 -1.0704 N.ar 1 UNL1111111111 -0.1990 10 N -6.2150 -0.2664 0.1179 N.ar 1 UNL1111111111 -0.1830 11 N -6.9598 -0.3604 1.2687 N.ar 1 UNL1111111111 -0.2675 12 N -8.1590 -1.1350 -0.5004 N.ar 1 UNL1111111111 -0.4011 13 C 1.7510 0.4630 -0.2823 C.3 1 UNL1111111111 0.2923 14 C 0.2457 0.0978 -0.0167 C.3 1 UNL1111111111 0.0570 15 C 2.1811 1.7372 0.5248 C.3 1 UNL1111111111 -0.1524 16 C 2.6472 -0.7246 0.0028 C.ar 1 UNL1111111111 -0.1829 17 C 0.0029 -0.3213 1.4263 C.3 1 UNL1111111111 -0.4800 18 C -0.1903 -1.0046 -0.9671 C.3 1 UNL1111111111 -0.4650 19 C 3.0448 -1.6006 -1.0155 C.ar 1 UNL1111111111 0.2546 20 C 3.0778 -1.0111 1.3017 C.ar 1 UNL1111111111 -0.0870 21 C -2.3935 1.1481 -0.0578 C.ar 1 UNL1111111111 -0.0517 22 C 3.8068 -2.7469 -0.7794 C.ar 1 UNL1111111111 -0.2972 23 C 3.8437 -2.1376 1.5857 C.ar 1 UNL1111111111 -0.2537 24 C 4.5568 2.1895 1.4221 C.ar 1 UNL1111111111 0.0730 25 C 4.1859 -2.9903 0.5367 C.ar 1 UNL1111111111 0.2480 26 C -2.9950 1.1933 1.2077 C.ar 1 UNL1111111111 -0.1098 27 C 5.4746 2.5324 -0.5277 C.ar 1 UNL1111111111 0.0873 28 C -4.2997 0.7293 1.3200 C.ar 1 UNL1111111111 -0.1938 29 C -4.9177 0.2612 0.1456 C.ar 1 UNL1111111111 0.2483 30 C -6.9727 -0.7499 -0.9702 C.ar 1 UNL1111111111 0.1649 31 C -8.1338 -0.8874 0.8800 C.ar 1 UNL1111111111 0.1046 32 H 1.6277 2.6316 0.1194 H 1 UNL1111111111 0.2003 33 H 1.9060 1.6417 1.5989 H 1 UNL1111111111 0.1625 34 H 0.2526 0.4511 2.1601 H 1 UNL1111111111 0.1497 35 H 0.5861 -1.2201 1.6826 H 1 UNL1111111111 0.1681 36 H -1.0447 -0.6070 1.5982 H 1 UNL1111111111 0.1596 37 H -1.2726 -1.1948 -0.9476 H 1 UNL1111111111 0.1592 38 H 0.0601 -0.7658 -2.0169 H 1 UNL1111111111 0.1958 39 H 0.2957 -1.9592 -0.7298 H 1 UNL1111111111 0.1561 40 H 2.6326 1.2224 -1.8929 H 1 UNL1111111111 0.3554 41 H 2.8079 -0.3439 2.1214 H 1 UNL1111111111 0.1526 42 H 4.0846 -3.4205 -1.5915 H 1 UNL1111111111 0.2016 43 H 4.1690 -2.3449 2.6071 H 1 UNL1111111111 0.1830 44 H 4.3729 2.0879 2.4760 H 1 UNL1111111111 0.1966 45 H -2.4625 1.5783 2.0793 H 1 UNL1111111111 0.1855 46 H 6.2191 2.7664 -1.2709 H 1 UNL1111111111 0.2086 47 H -4.8377 0.7190 2.2754 H 1 UNL1111111111 0.2112 48 H -6.6054 -0.7801 -1.9891 H 1 UNL1111111111 0.2268 49 H -8.9695 -1.1009 1.5301 H 1 UNL1111111111 0.2104 @BOND 1 1 14 1 2 1 21 1 3 2 19 1 4 3 25 1 5 4 13 1 6 4 40 1 7 5 6 ar 8 5 15 1 9 5 24 ar 10 6 27 ar 11 7 24 ar 12 7 27 ar 13 8 9 ar 14 8 21 ar 15 9 29 ar 16 10 11 ar 17 10 29 1 18 10 30 ar 19 11 31 ar 20 12 30 ar 21 12 31 ar 22 13 14 1 23 13 15 1 24 13 16 1 25 14 17 1 26 14 18 1 27 15 32 1 28 15 33 1 29 16 19 ar 30 16 20 ar 31 17 34 1 32 17 35 1 33 17 36 1 34 18 37 1 35 18 38 1 36 18 39 1 37 19 22 ar 38 20 23 ar 39 20 41 1 40 21 26 ar 41 22 25 ar 42 22 42 1 43 23 25 ar 44 23 43 1 45 24 44 1 46 26 28 ar 47 26 45 1 48 27 46 1 49 28 29 ar 50 28 47 1 51 30 48 1 52 31 49 1