@MOLECULE 1-cyclopropyl-4-{4-[(5-methyl-3-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-1h-pyrazol-1-yl)methyl]-2-pyridinyl}piperazine 64 69 0 0 0 SMALL GASTEIGER @ATOM 1 F 5.8391 -0.1756 1.2541 F 1 UNL1111111111 -0.1891 2 F 7.6961 0.1359 0.2371 F 1 UNL1111111111 -0.1591 3 F 6.2035 -1.1182 -0.6256 F 1 UNL1111111111 -0.1928 4 O -1.0079 4.2940 0.3799 O.2 1 UNL1111111111 0.0171 5 O 5.9344 1.1079 -0.6174 O.3 1 UNL1111111111 -0.3832 6 N 0.4768 -3.6017 0.1555 N.3 1 UNL1111111111 -0.4147 7 N -2.2169 -2.7207 -0.1353 N.pl3 1 UNL1111111111 -0.4012 8 N -4.4891 -3.0588 0.3848 N.ar 1 UNL1111111111 -0.4902 9 N -4.7163 1.8101 -0.5499 N.ar 1 UNL1111111111 -0.1054 10 N -3.4278 1.9749 -0.9126 N.ar 1 UNL1111111111 -0.1968 11 N -0.4133 2.2155 -0.1813 N.ar 1 UNL1111111111 -0.4140 12 N 0.3596 4.2674 0.3426 N.ar 1 UNL1111111111 -0.2616 13 C 1.7549 -4.1701 -0.2619 C.3 1 UNL1111111111 -0.0249 14 C 2.5343 -4.9215 0.8048 C.3 1 UNL1111111111 -0.3224 15 C 2.9974 -3.5552 0.3628 C.3 1 UNL1111111111 -0.3163 16 C -0.6195 -4.5891 0.0084 C.3 1 UNL1111111111 -0.1307 17 C 0.1665 -2.3801 -0.6256 C.3 1 UNL1111111111 -0.1113 18 C -1.1110 -1.7444 -0.0323 C.3 1 UNL1111111111 -0.0860 19 C -1.9208 -3.9782 0.5808 C.3 1 UNL1111111111 -0.0842 20 C -3.5166 -2.2444 -0.1306 C.ar 1 UNL1111111111 0.3949 21 C -3.8485 -1.0001 -0.7258 C.ar 1 UNL1111111111 -0.3414 22 C -5.1667 -0.5794 -0.7094 C.ar 1 UNL1111111111 0.0822 23 C -5.7645 -2.6492 0.3294 C.ar 1 UNL1111111111 0.1331 24 C -5.5068 0.7935 -1.2479 C.3 1 UNL1111111111 -0.0860 25 C -6.1601 -1.4074 -0.1842 C.ar 1 UNL1111111111 -0.3617 26 C -4.9913 2.4326 0.6703 C.ar 1 UNL1111111111 0.1080 27 C -3.8089 3.0612 1.0677 C.ar 1 UNL1111111111 -0.2629 28 C -2.8491 2.7332 0.0622 C.ar 1 UNL1111111111 -0.0059 29 C -6.3102 2.3838 1.3186 C.3 1 UNL1111111111 -0.4433 30 C -1.4442 3.0092 0.0521 C.ar 1 UNL1111111111 0.2620 31 C 0.7321 3.0269 0.0051 C.ar 1 UNL1111111111 0.2212 32 C 2.0810 2.5095 -0.1460 C.ar 1 UNL1111111111 -0.0586 33 C 2.2630 1.1582 -0.4694 C.ar 1 UNL1111111111 -0.0466 34 C 3.1839 3.3528 0.0381 C.ar 1 UNL1111111111 -0.0784 35 C 3.5457 0.6350 -0.6007 C.ar 1 UNL1111111111 -0.2384 36 C 4.4728 2.8461 -0.0851 C.ar 1 UNL1111111111 -0.2129 37 C 4.6209 1.4954 -0.4008 C.ar 1 UNL1111111111 0.2467 38 C 6.3918 -0.0013 0.0630 C.3 1 UNL1111111111 0.6761 39 H 1.8057 -4.5247 -1.2988 H 1 UNL1111111111 0.1355 40 H 2.8860 -2.7160 1.0480 H 1 UNL1111111111 0.1710 41 H 3.9013 -3.4524 -0.2280 H 1 UNL1111111111 0.1536 42 H 3.1018 -5.8047 0.5341 H 1 UNL1111111111 0.1518 43 H 2.0978 -5.0356 1.7954 H 1 UNL1111111111 0.1689 44 H -0.3549 -5.4979 0.5903 H 1 UNL1111111111 0.1448 45 H -0.7807 -4.9036 -1.0445 H 1 UNL1111111111 0.1274 46 H 0.0263 -2.5786 -1.7089 H 1 UNL1111111111 0.1276 47 H 1.0147 -1.6695 -0.5203 H 1 UNL1111111111 0.1453 48 H -1.3476 -0.8078 -0.5857 H 1 UNL1111111111 0.1630 49 H -0.9354 -1.4623 1.0318 H 1 UNL1111111111 0.1519 50 H -1.8136 -3.7970 1.6736 H 1 UNL1111111111 0.1462 51 H -2.7622 -4.6975 0.4471 H 1 UNL1111111111 0.1697 52 H -3.0717 -0.3870 -1.1856 H 1 UNL1111111111 0.2033 53 H -6.4974 -3.3550 0.7421 H 1 UNL1111111111 0.1652 54 H -5.2766 0.8368 -2.3459 H 1 UNL1111111111 0.1902 55 H -6.5879 1.0363 -1.1308 H 1 UNL1111111111 0.1630 56 H -7.1999 -1.1134 -0.1680 H 1 UNL1111111111 0.1641 57 H -3.6417 3.6525 1.9406 H 1 UNL1111111111 0.1854 58 H -6.2914 2.8773 2.3053 H 1 UNL1111111111 0.1782 59 H -6.6493 1.3482 1.4922 H 1 UNL1111111111 0.1724 60 H -7.0859 2.8933 0.7247 H 1 UNL1111111111 0.1678 61 H 1.3868 0.5162 -0.6192 H 1 UNL1111111111 0.1883 62 H 3.0304 4.4077 0.2844 H 1 UNL1111111111 0.1795 63 H 3.6871 -0.4112 -0.8617 H 1 UNL1111111111 0.1813 64 H 5.3479 3.4791 0.0552 H 1 UNL1111111111 0.1829 @BOND 1 1 38 1 2 2 38 1 3 3 38 1 4 4 12 ar 5 4 30 ar 6 5 37 1 7 5 38 1 8 6 13 1 9 6 16 1 10 6 17 1 11 7 18 1 12 7 19 1 13 7 20 1 14 8 20 ar 15 8 23 ar 16 9 10 ar 17 9 24 1 18 9 26 ar 19 10 28 ar 20 11 30 ar 21 11 31 ar 22 12 31 ar 23 13 14 1 24 13 15 1 25 13 39 1 26 14 15 1 27 14 42 1 28 14 43 1 29 15 40 1 30 15 41 1 31 16 19 1 32 16 44 1 33 16 45 1 34 17 18 1 35 17 46 1 36 17 47 1 37 18 48 1 38 18 49 1 39 19 50 1 40 19 51 1 41 20 21 ar 42 21 22 ar 43 21 52 1 44 22 24 1 45 22 25 ar 46 23 25 ar 47 23 53 1 48 24 54 1 49 24 55 1 50 25 56 1 51 26 27 ar 52 26 29 1 53 27 28 ar 54 27 57 1 55 28 30 1 56 29 58 1 57 29 59 1 58 29 60 1 59 31 32 1 60 32 33 ar 61 32 34 ar 62 33 35 ar 63 33 61 1 64 34 36 ar 65 34 62 1 66 35 37 ar 67 35 63 1 68 36 37 ar 69 36 64 1