@MOLECULE 2-{difluoro[(4-methyl-2-pyrimidinyl)sulfanyl]methyl}-1,3-benzoxazole 29 31 0 0 0 SMALL GASTEIGER @ATOM 1 F -0.2643 1.7466 -0.9947 F 1 UNL11 -0.1442 2 C 0.0354 0.8996 -0.0061 C.3 1 UNL11 0.3250 3 F -0.2688 1.5837 1.1010 F 1 UNL11 -0.1484 4 S -0.9494 -0.6911 -0.1323 S.3 1 UNL11 0.1937 5 C -2.6423 -0.1595 -0.0414 C.ar 1 UNL11 0.2436 6 N -3.5369 -1.1733 -0.0544 N.ar 1 UNL11 -0.4540 7 C -4.8470 -0.8465 0.0099 C.ar 1 UNL11 0.2951 8 C -5.8261 -1.9659 0.0018 C.3 1 UNL11 -0.4631 9 C -5.2534 0.4986 0.0856 C.ar 1 UNL11 -0.3671 10 C -4.2554 1.4769 0.0897 C.ar 1 UNL11 0.1332 11 N -2.9475 1.1519 0.0267 N.ar 1 UNL11 -0.4281 12 C 1.5100 0.6031 -0.0247 C.ar 1 UNL11 0.1911 13 N 2.5274 1.4244 -0.0771 N.ar 1 UNL11 -0.3106 14 C 3.6822 0.6137 -0.0630 C.ar 1 UNL11 0.0215 15 C 5.0416 0.9081 -0.0959 C.ar 1 UNL11 -0.0911 16 C 5.9205 -0.1705 -0.0658 C.ar 1 UNL11 -0.1790 17 C 5.4692 -1.5006 -0.0068 C.ar 1 UNL11 -0.1071 18 C 4.1135 -1.8194 0.0280 C.ar 1 UNL11 -0.1899 19 C 3.2483 -0.7408 0.0003 C.ar 1 UNL11 0.1121 20 O 1.8697 -0.7545 0.0283 O.2 1 UNL11 -0.2177 21 H -6.3627 -2.0333 0.9617 H 1 UNL11 0.1766 22 H -6.5767 -1.8434 -0.7935 H 1 UNL11 0.1738 23 H -5.3371 -2.9439 -0.1602 H 1 UNL11 0.1881 24 H -6.3031 0.7627 0.1394 H 1 UNL11 0.1856 25 H -4.4791 2.5508 0.1440 H 1 UNL11 0.1849 26 H 5.3897 1.9387 -0.1424 H 1 UNL11 0.1772 27 H 6.9943 0.0174 -0.0879 H 1 UNL11 0.1621 28 H 6.2061 -2.3051 0.0128 H 1 UNL11 0.1594 29 H 3.7582 -2.8440 0.0739 H 1 UNL11 0.1774 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 12 1 5 4 5 1 6 5 6 ar 7 5 11 ar 8 6 7 ar 9 7 8 1 10 7 9 ar 11 8 21 1 12 8 22 1 13 8 23 1 14 9 10 ar 15 9 24 1 16 10 11 ar 17 10 25 1 18 12 13 ar 19 12 20 ar 20 13 14 ar 21 14 15 ar 22 14 19 ar 23 15 16 ar 24 15 26 1 25 16 17 ar 26 16 27 1 27 17 18 ar 28 17 28 1 29 18 19 ar 30 18 29 1 31 19 20 ar