@MOLECULE n-[4-(4-fluorophenyl)-5-{(e)-2-[(2s,4r)-4-hydroxy-6-oxotetrahydro-2h-pyran-2-yl]vinyl}-6-isopropyl-2-pyrimidinyl]-n-methylmethanesulfonamide 58 60 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.9760 0.7597 0.8370 S.O2 1 UNL1111111111 2.3957 2 F 2.0011 4.8723 -1.2925 F 1 UNL1111111111 -0.1715 3 O 3.8392 0.4478 0.8784 O.3 1 UNL1111111111 -0.4099 4 O 5.8579 -2.0450 -0.8318 O.3 1 UNL1111111111 -0.5663 5 O 5.3362 1.4534 2.0858 O.2 1 UNL1111111111 -0.4649 6 O -6.1178 0.3142 1.5980 O.2 1 UNL1111111111 -0.9075 7 O -5.1593 1.5347 -0.3549 O.2 1 UNL1111111111 -0.8567 8 N -2.3964 -2.0858 -0.4593 N.ar 1 UNL1111111111 -0.5329 9 N -4.2218 -0.7954 0.3563 N.pl3 1 UNL1111111111 -0.6825 10 N -2.2275 0.3080 -0.1067 N.ar 1 UNL1111111111 -0.5620 11 C 4.0351 -1.9550 0.6035 C.3 1 UNL1111111111 -0.3539 12 C 3.4571 -0.6556 0.0487 C.3 1 UNL1111111111 0.1460 13 C 5.5606 -1.8863 0.5480 C.3 1 UNL1111111111 0.1789 14 C 6.1156 -0.5433 1.0391 C.3 1 UNL1111111111 -0.4567 15 C 1.9639 -0.6491 0.1377 C.2 1 UNL1111111111 -0.1965 16 C -0.2840 -0.9689 -0.7025 C.ar 1 UNL1111111111 -0.3194 17 C -0.4609 -3.4823 -1.0265 C.3 1 UNL1111111111 -0.0819 18 C -1.0818 -2.1337 -0.7297 C.ar 1 UNL1111111111 0.2897 19 C 5.0963 0.5083 1.3767 C.2 1 UNL1111111111 0.6134 20 C 1.1626 -1.0174 -0.8671 C.2 1 UNL1111111111 -0.1023 21 C -0.9332 0.2541 -0.4551 C.ar 1 UNL1111111111 0.2990 22 C 0.1178 -4.0249 0.2893 C.3 1 UNL1111111111 -0.4440 23 C -1.4541 -4.4678 -1.6376 C.3 1 UNL1111111111 -0.4390 24 C -2.9316 -0.8723 -0.0977 C.ar 1 UNL1111111111 0.5345 25 C -0.2347 1.5414 -0.6290 C.ar 1 UNL1111111111 -0.0648 26 C -0.1876 2.0931 -1.9122 C.ar 1 UNL1111111111 -0.0839 27 C 0.4031 2.1630 0.4446 C.ar 1 UNL1111111111 -0.0866 28 C -5.0795 -1.9728 0.1512 C.3 1 UNL1111111111 -0.2110 29 C -3.8360 1.5380 1.9322 C.3 1 UNL1111111111 -0.7304 30 C 0.5668 3.2387 -2.1486 C.ar 1 UNL1111111111 -0.2215 31 C 1.1738 3.3020 0.2264 C.ar 1 UNL1111111111 -0.2129 32 C 1.2491 3.8056 -1.0711 C.ar 1 UNL1111111111 0.2129 33 H 3.6898 -2.1321 1.6413 H 1 UNL1111111111 0.1651 34 H 3.6742 -2.8150 0.0029 H 1 UNL1111111111 0.1792 35 H 3.8399 -0.4328 -0.9734 H 1 UNL1111111111 0.1586 36 H 6.0320 -2.7316 1.0970 H 1 UNL1111111111 0.1177 37 H 6.7948 -0.1143 0.2640 H 1 UNL1111111111 0.1956 38 H 6.7656 -0.6938 1.9292 H 1 UNL1111111111 0.1847 39 H 1.5738 -0.3009 1.0960 H 1 UNL1111111111 0.1710 40 H 0.3761 -3.3328 -1.7570 H 1 UNL1111111111 0.1543 41 H 1.5323 -1.3649 -1.8307 H 1 UNL1111111111 0.1604 42 H 0.6146 -4.9885 0.1294 H 1 UNL1111111111 0.1526 43 H 0.8479 -3.3336 0.7222 H 1 UNL1111111111 0.1497 44 H -0.6726 -4.1824 1.0340 H 1 UNL1111111111 0.1546 45 H -1.9353 -4.0481 -2.5298 H 1 UNL1111111111 0.1530 46 H -0.9605 -5.4028 -1.9226 H 1 UNL1111111111 0.1458 47 H -2.2650 -4.7127 -0.9385 H 1 UNL1111111111 0.1626 48 H 6.8178 -2.1365 -0.9807 H 1 UNL1111111111 0.3179 49 H -0.7369 1.6210 -2.7276 H 1 UNL1111111111 0.1652 50 H 0.3162 1.7489 1.4497 H 1 UNL1111111111 0.1595 51 H -6.0387 -1.8559 0.6913 H 1 UNL1111111111 0.1745 52 H -4.5830 -2.8875 0.5358 H 1 UNL1111111111 0.1603 53 H -5.2879 -2.1344 -0.9235 H 1 UNL1111111111 0.1469 54 H -4.3472 2.1867 2.6576 H 1 UNL1111111111 0.1910 55 H -3.2287 0.8248 2.5111 H 1 UNL1111111111 0.1921 56 H -3.1150 2.1733 1.3769 H 1 UNL1111111111 0.2189 57 H 0.6241 3.6711 -3.1447 H 1 UNL1111111111 0.1759 58 H 1.7173 3.7699 1.0453 H 1 UNL1111111111 0.1820 @BOND 1 1 6 2 2 1 7 2 3 1 9 1 4 1 29 1 5 2 32 1 6 3 12 1 7 3 19 1 8 4 13 1 9 4 48 1 10 5 19 2 11 8 18 ar 12 8 24 ar 13 9 24 1 14 9 28 1 15 10 21 ar 16 10 24 ar 17 11 12 1 18 11 13 1 19 11 33 1 20 11 34 1 21 12 15 1 22 12 35 1 23 13 14 1 24 13 36 1 25 14 19 1 26 14 37 1 27 14 38 1 28 15 20 2 29 15 39 1 30 16 18 ar 31 16 20 1 32 16 21 ar 33 17 18 1 34 17 22 1 35 17 23 1 36 17 40 1 37 20 41 1 38 21 25 1 39 22 42 1 40 22 43 1 41 22 44 1 42 23 45 1 43 23 46 1 44 23 47 1 45 25 26 ar 46 25 27 ar 47 26 30 ar 48 26 49 1 49 27 31 ar 50 27 50 1 51 28 51 1 52 28 52 1 53 28 53 1 54 29 54 1 55 29 55 1 56 29 56 1 57 30 32 ar 58 30 57 1 59 31 32 ar 60 31 58 1