@MOLECULE n-[(2s)-4-(5-fluoro-2-pyrimidinyl)-1-({4-[5-(2,2,2-trifluoroethoxy)-2-pyrimidinyl]-1-piperazinyl}sulfonyl)-2-butanyl]-n-hydroxyformamide 59 61 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.7796 1.8025 1.7811 C.2 1 UNL111111111 0.5338 2 C 3.9310 0.9559 -0.3141 C.3 1 UNL111111111 0.1057 3 C 5.0787 -0.0167 0.0528 C.3 1 UNL111111111 -0.2785 4 O 1.1541 1.4577 -2.2961 O.2 1 UNL111111111 -0.8973 5 O -7.3448 -2.0057 0.6861 O.3 1 UNL111111111 -0.2534 6 N -4.6134 -0.3622 -1.0281 N.ar 1 UNL111111111 -0.5062 7 C 9.5855 -2.0602 -0.0004 C.ar 1 UNL111111111 -0.0170 8 C 9.4551 -1.1561 1.0636 C.ar 1 UNL111111111 0.0617 9 C 2.6693 0.1176 -0.5962 C.3 1 UNL111111111 -0.6325 10 C -0.6463 -0.1493 0.6972 C.3 1 UNL111111111 -0.1192 11 C -1.7392 0.9288 0.8986 C.3 1 UNL111111111 -0.1264 12 C -2.1982 0.8923 -1.5097 C.3 1 UNL111111111 -0.1264 13 C -1.1032 -0.1864 -1.6936 C.3 1 UNL111111111 -0.1145 14 C -3.8616 0.0170 0.0642 C.ar 1 UNL111111111 0.4848 15 C -5.7781 -0.9787 -0.8045 C.ar 1 UNL111111111 0.1416 16 C -6.2076 -1.2571 0.5039 C.ar 1 UNL111111111 -0.1202 17 C -5.3742 -0.9004 1.5734 C.ar 1 UNL111111111 0.1169 18 O 3.7547 3.2220 0.2408 O.3 1 UNL111111111 -0.3097 19 N 3.8054 1.9234 0.7962 N.am 1 UNL111111111 -0.3565 20 O 2.4905 0.6961 2.1788 O.2 1 UNL111111111 -0.5406 21 C 6.4324 0.7040 0.0641 C.3 1 UNL111111111 -0.2711 22 C 7.5584 -0.2879 0.0443 C.ar 1 UNL111111111 0.3325 23 N 7.6418 -1.1391 -1.0128 N.ar 1 UNL111111111 -0.4257 24 C 8.6488 -2.0270 -1.0442 C.ar 1 UNL111111111 0.0626 25 F 10.5767 -2.9306 -0.0219 F 1 UNL111111111 -0.1210 26 N 8.4406 -0.2741 1.0757 N.ar 1 UNL111111111 -0.4119 27 S 1.1977 1.0753 -0.9055 S.O2 1 UNL111111111 2.3139 28 O 1.0727 2.0673 0.1475 O.2 1 UNL111111111 -0.9440 29 N -0.0592 -0.1214 -0.6559 N.3 1 UNL111111111 -0.7141 30 N -2.7683 0.8269 -0.1517 N.pl3 1 UNL111111111 -0.3488 31 C -8.4320 -1.2746 1.2169 C.3 1 UNL111111111 -0.1292 32 C -9.0929 -0.4811 0.0751 C.3 1 UNL111111111 0.5054 33 F -9.2557 -1.1926 -1.0362 F 1 UNL111111111 -0.1925 34 F -10.3062 -0.0195 0.3749 F 1 UNL111111111 -0.2050 35 F -8.4039 0.5923 -0.3056 F 1 UNL111111111 -0.2008 36 N -4.2089 -0.2764 1.3655 N.ar 1 UNL111111111 -0.5063 37 H 2.4011 2.7392 2.2078 H 1 UNL111111111 0.1575 38 H 4.2149 1.5260 -1.2456 H 1 UNL111111111 0.1642 39 H 4.8846 -0.4751 1.0440 H 1 UNL111111111 0.1676 40 H 5.0997 -0.8508 -0.6784 H 1 UNL111111111 0.1644 41 H 10.1518 -1.1221 1.9125 H 1 UNL111111111 0.1997 42 H 2.8643 -0.5524 -1.4599 H 1 UNL111111111 0.1941 43 H 2.4871 -0.5737 0.2629 H 1 UNL111111111 0.2175 44 H 0.1465 -0.0307 1.4740 H 1 UNL111111111 0.1717 45 H -1.0816 -1.1647 0.8544 H 1 UNL111111111 0.1569 46 H -2.1946 0.8354 1.9115 H 1 UNL111111111 0.1812 47 H -1.3019 1.9566 0.8472 H 1 UNL111111111 0.1827 48 H -1.7864 1.9185 -1.6526 H 1 UNL111111111 0.1677 49 H -2.9950 0.7709 -2.2813 H 1 UNL111111111 0.1852 50 H -1.5637 -1.2022 -1.6462 H 1 UNL111111111 0.1576 51 H -0.6512 -0.0994 -2.7095 H 1 UNL111111111 0.1717 52 H -6.3642 -1.2676 -1.6889 H 1 UNL111111111 0.1976 53 H -5.6308 -1.1218 2.6173 H 1 UNL111111111 0.1846 54 H 4.6463 3.6075 0.4878 H 1 UNL111111111 0.2880 55 H 6.5268 1.3767 -0.8165 H 1 UNL111111111 0.1697 56 H 6.5071 1.3597 0.9622 H 1 UNL111111111 0.1840 57 H 8.6904 -2.7006 -1.9108 H 1 UNL111111111 0.1977 58 H -9.1007 -2.0780 1.5967 H 1 UNL111111111 0.1846 59 H -8.1380 -0.6185 2.0567 H 1 UNL111111111 0.1642 @BOND 1 1 19 am 2 1 37 1 3 2 3 1 4 2 38 1 5 3 21 1 6 3 39 1 7 3 40 1 8 5 16 1 9 6 14 ar 10 7 24 ar 11 7 8 ar 12 8 26 ar 13 8 41 1 14 9 2 1 15 9 42 1 16 9 43 1 17 10 29 1 18 10 44 1 19 10 45 1 20 11 10 1 21 11 46 1 22 11 47 1 23 12 13 1 24 12 48 1 25 12 49 1 26 13 29 1 27 13 50 1 28 13 51 1 29 14 30 1 30 15 6 ar 31 15 52 1 32 16 15 ar 33 16 17 ar 34 17 36 ar 35 17 53 1 36 18 19 1 37 18 54 1 38 19 2 1 39 20 1 2 40 21 55 1 41 21 56 1 42 22 21 1 43 23 22 ar 44 24 23 ar 45 24 57 1 46 25 7 1 47 26 22 ar 48 27 9 1 49 27 4 2 50 27 28 2 51 29 27 1 52 30 11 1 53 30 12 1 54 31 5 1 55 31 58 1 56 31 59 1 57 32 33 1 58 32 31 1 59 34 32 1 60 35 32 1 61 36 14 ar