@MOLECULE (2r)-3-{[4-(4-chloro-3-ethylphenoxy)-2-pyrimidinyl][3-(1,1,2,2-tetrafluoroethoxy)benzyl]amino}-1,1,1-trifluoro-2-propanol 59 61 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.7296 -0.3354 2.2521 C.3 1 UNL1111111111 -0.4292 2 C 4.4938 -0.8624 1.0354 C.3 1 UNL1111111111 -0.2601 3 C 3.6118 -1.7516 0.2181 C.ar 1 UNL1111111111 0.0448 4 C 2.9824 -1.2479 -0.9240 C.ar 1 UNL1111111111 -0.2108 5 C 2.1566 -2.0945 -1.6555 C.ar 1 UNL1111111111 0.2174 6 C 1.9167 -3.4233 -1.3163 C.ar 1 UNL1111111111 -0.1836 7 C 2.5433 -3.9237 -0.1781 C.ar 1 UNL1111111111 -0.1288 8 C 3.3675 -3.0821 0.5607 C.ar 1 UNL1111111111 -0.0275 9 CL 4.1006 -3.7393 1.9628 Cl 1 UNL1111111111 -0.0934 10 O 1.6167 -1.5975 -2.8465 O.3 1 UNL1111111111 -0.2850 11 C 0.3672 -1.0944 -2.7531 C.ar 1 UNL1111111111 0.4828 12 C -0.1846 -0.4936 -3.8961 C.ar 1 UNL1111111111 -0.4475 13 C -1.4651 0.0397 -3.7290 C.ar 1 UNL1111111111 0.1957 14 N -2.1365 -0.0158 -2.5645 N.ar 1 UNL1111111111 -0.5445 15 C -1.5282 -0.6405 -1.5034 C.ar 1 UNL1111111111 0.5450 16 N -0.2698 -1.1810 -1.5696 N.ar 1 UNL1111111111 -0.6163 17 N -2.2419 -0.8190 -0.3291 N.pl3 1 UNL1111111111 -0.3769 18 C -1.4922 -1.1667 0.8955 C.3 1 UNL1111111111 -0.0927 19 C -0.8694 0.0389 1.5495 C.ar 1 UNL1111111111 -0.0118 20 C -1.4336 0.5787 2.7076 C.ar 1 UNL1111111111 -0.1766 21 C -0.9000 1.7303 3.2849 C.ar 1 UNL1111111111 -0.1262 22 C 0.1959 2.3662 2.7059 C.ar 1 UNL1111111111 -0.1880 23 C 0.7495 1.7921 1.5648 C.ar 1 UNL1111111111 0.2121 24 C 0.2602 0.6284 0.9840 C.ar 1 UNL1111111111 -0.2009 25 O 1.9154 2.3534 1.0623 O.3 1 UNL1111111111 -0.4062 26 C 1.7818 3.1936 -0.0259 C.3 1 UNL1111111111 0.4994 27 C 3.2380 3.6652 -0.3640 C.3 1 UNL1111111111 0.2240 28 F 3.9085 2.6183 -0.8599 F 1 UNL1111111111 -0.1676 29 F 3.1824 4.5201 -1.3929 F 1 UNL1111111111 -0.1698 30 F 1.1731 2.5879 -1.0420 F 1 UNL1111111111 -0.1929 31 F 0.9802 4.2183 0.2675 F 1 UNL1111111111 -0.2060 32 C -3.4401 0.0134 -0.1245 C.3 1 UNL1111111111 -0.1378 33 C -4.4997 -0.8251 0.6101 C.3 1 UNL1111111111 0.0865 34 C -5.9421 -0.3667 0.2567 C.3 1 UNL1111111111 0.4785 35 F -6.1278 0.9470 0.3792 F 1 UNL1111111111 -0.2123 36 F -6.3292 -0.6615 -0.9802 F 1 UNL1111111111 -0.1926 37 F -6.8598 -0.9118 1.0491 F 1 UNL1111111111 -0.1905 38 O -4.3822 -0.7333 1.9991 O.3 1 UNL1111111111 -0.5182 39 H 2.8355 0.2250 1.9476 H 1 UNL1111111111 0.1570 40 H 3.3959 -1.1456 2.9100 H 1 UNL1111111111 0.1504 41 H 4.3538 0.3375 2.8497 H 1 UNL1111111111 0.1431 42 H 4.8628 -0.0084 0.4288 H 1 UNL1111111111 0.1537 43 H 5.4112 -1.3962 1.3611 H 1 UNL1111111111 0.1555 44 H 3.1285 -0.2157 -1.2387 H 1 UNL1111111111 0.1845 45 H 1.2504 -4.0378 -1.9170 H 1 UNL1111111111 0.1774 46 H 2.3799 -4.9581 0.1255 H 1 UNL1111111111 0.1710 47 H 0.3582 -0.4388 -4.8295 H 1 UNL1111111111 0.2017 48 H -1.9926 0.5478 -4.5497 H 1 UNL1111111111 0.1804 49 H -2.1999 -1.6880 1.5876 H 1 UNL1111111111 0.1760 50 H -0.7044 -1.9239 0.6398 H 1 UNL1111111111 0.1922 51 H -2.2890 0.0881 3.1726 H 1 UNL1111111111 0.1625 52 H -1.3442 2.1396 4.1916 H 1 UNL1111111111 0.1564 53 H 0.6143 3.2753 3.1304 H 1 UNL1111111111 0.1729 54 H 0.7534 0.1830 0.1163 H 1 UNL1111111111 0.2008 55 H 3.7645 4.1117 0.5312 H 1 UNL1111111111 0.1776 56 H -3.1943 0.9367 0.4504 H 1 UNL1111111111 0.1576 57 H -3.8280 0.3667 -1.1189 H 1 UNL1111111111 0.2121 58 H -4.3798 -1.9240 0.4122 H 1 UNL1111111111 0.1988 59 H -4.3320 0.2011 2.3067 H 1 UNL1111111111 0.3260 @BOND 1 1 39 1 2 1 40 1 3 1 41 1 4 2 1 1 5 2 3 1 6 2 42 1 7 2 43 1 8 3 8 ar 9 4 5 ar 10 4 3 ar 11 4 44 1 12 5 6 ar 13 6 7 ar 14 6 45 1 15 7 46 1 16 8 7 ar 17 8 9 1 18 10 5 1 19 11 10 1 20 12 11 ar 21 12 47 1 22 13 12 ar 23 13 48 1 24 14 13 ar 25 14 15 ar 26 15 16 ar 27 16 11 ar 28 17 15 1 29 17 18 1 30 18 49 1 31 18 50 1 32 19 20 ar 33 19 18 1 34 20 51 1 35 21 20 ar 36 21 52 1 37 22 21 ar 38 22 53 1 39 23 22 ar 40 23 24 ar 41 24 19 ar 42 24 54 1 43 25 23 1 44 26 25 1 45 26 31 1 46 27 29 1 47 27 26 1 48 27 55 1 49 28 27 1 50 30 26 1 51 32 33 1 52 32 17 1 53 32 56 1 54 32 57 1 55 33 38 1 56 33 58 1 57 34 36 1 58 34 33 1 59 35 34 1 60 37 34 1 61 38 59 1