@MOLECULE 2-methyl-c-5-(4-(5-methyl-2-(4-methylphenyl)-4-oxazolyl)butyl)-1,3-dioxane-r-2-carboxylic acid 54 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.8484 -0.6867 0.3012 O.3 1 UNL1111111111 -0.4268 2 O -3.0589 0.7696 -0.1585 O.3 1 UNL1111111111 -0.4283 3 O 4.1102 -1.0828 0.5877 O.2 1 UNL1111111111 -0.2451 4 O -5.7827 2.4582 0.3511 O.3 1 UNL1111111111 -0.5616 5 O -5.4924 1.3616 -1.5687 O.2 1 UNL1111111111 -0.4454 6 N 2.3783 -1.1076 -0.8414 N.ar 1 UNL1111111111 -0.4077 7 C -2.6632 -1.6184 -0.1876 C.3 1 UNL1111111111 -0.2000 8 C -1.6842 -2.7302 0.2011 C.3 1 UNL1111111111 -0.2835 9 C -3.9716 -1.7578 0.5987 C.3 1 UNL1111111111 -0.0309 10 C -2.0941 -0.2295 0.1204 C.3 1 UNL1111111111 -0.0196 11 C -0.4461 -2.7117 -0.7016 C.3 1 UNL1111111111 -0.2699 12 C -4.3042 0.5997 0.4685 C.3 1 UNL1111111111 0.4197 13 C 0.5869 -3.7511 -0.2501 C.3 1 UNL1111111111 -0.2556 14 C 1.9099 -3.5778 -1.0207 C.3 1 UNL1111111111 -0.2517 15 C -4.2608 1.0056 1.9318 C.3 1 UNL1111111111 -0.5072 16 C -5.2372 1.4702 -0.4056 C.2 1 UNL1111111111 0.5960 17 C 2.6858 -2.4358 -0.4893 C.ar 1 UNL1111111111 0.0348 18 C 3.7496 -2.4077 0.3844 C.ar 1 UNL1111111111 0.0696 19 C 3.2269 -0.3344 -0.1883 C.ar 1 UNL1111111111 0.2717 20 C 4.5574 -3.3849 1.1109 C.3 1 UNL1111111111 -0.4308 21 C 3.3697 1.1013 -0.1398 C.ar 1 UNL1111111111 -0.0818 22 C 4.4181 1.6902 0.5738 C.ar 1 UNL1111111111 -0.0974 23 C 2.4409 1.9040 -0.8148 C.ar 1 UNL1111111111 -0.0733 24 C 3.6097 3.8798 -0.0568 C.ar 1 UNL1111111111 0.0818 25 C 4.5356 3.0757 0.6137 C.ar 1 UNL1111111111 -0.2001 26 C 2.5624 3.2872 -0.7702 C.ar 1 UNL1111111111 -0.2036 27 C 3.7248 5.3647 -0.0118 C.3 1 UNL1111111111 -0.4631 28 H -2.8931 -1.6769 -1.2813 H 1 UNL1111111111 0.1705 29 H -2.1838 -3.7154 0.1287 H 1 UNL1111111111 0.1379 30 H -1.3817 -2.6230 1.2600 H 1 UNL1111111111 0.1381 31 H -3.8105 -1.8029 1.6892 H 1 UNL1111111111 0.1201 32 H -4.5691 -2.6318 0.2764 H 1 UNL1111111111 0.1467 33 H -1.2728 0.0573 -0.5673 H 1 UNL1111111111 0.1596 34 H -1.7521 -0.1290 1.1640 H 1 UNL1111111111 0.1228 35 H -0.7338 -2.8930 -1.7539 H 1 UNL1111111111 0.1413 36 H 0.0201 -1.7031 -0.6956 H 1 UNL1111111111 0.1703 37 H 0.7733 -3.6596 0.8363 H 1 UNL1111111111 0.1385 38 H 0.1937 -4.7715 -0.4089 H 1 UNL1111111111 0.1316 39 H 1.6972 -3.4226 -2.1028 H 1 UNL1111111111 0.1691 40 H 2.5064 -4.5106 -0.9637 H 1 UNL1111111111 0.1414 41 H -3.9197 2.0459 2.0379 H 1 UNL1111111111 0.1786 42 H -5.2608 0.9440 2.3844 H 1 UNL1111111111 0.1763 43 H -3.5871 0.3705 2.5151 H 1 UNL1111111111 0.1574 44 H 5.5852 -3.4418 0.7103 H 1 UNL1111111111 0.1739 45 H 4.1250 -4.3965 1.0528 H 1 UNL1111111111 0.1682 46 H 4.6481 -3.1274 2.1808 H 1 UNL1111111111 0.1736 47 H -6.3898 3.0518 -0.1558 H 1 UNL1111111111 0.3533 48 H 5.1426 1.0653 1.0973 H 1 UNL1111111111 0.1620 49 H 1.6265 1.4346 -1.3739 H 1 UNL1111111111 0.1772 50 H 5.3521 3.5316 1.1696 H 1 UNL1111111111 0.1576 51 H 1.8396 3.9112 -1.2926 H 1 UNL1111111111 0.1607 52 H 4.6693 5.7074 0.4313 H 1 UNL1111111111 0.1561 53 H 2.9114 5.8059 0.5851 H 1 UNL1111111111 0.1643 54 H 3.6639 5.8081 -1.0168 H 1 UNL1111111111 0.1625 @BOND 1 1 9 1 2 1 12 1 3 2 10 1 4 2 12 1 5 3 18 ar 6 3 19 ar 7 4 16 1 8 4 47 1 9 5 16 2 10 6 17 ar 11 6 19 ar 12 7 8 1 13 7 9 1 14 7 10 1 15 7 28 1 16 8 11 1 17 8 29 1 18 8 30 1 19 9 31 1 20 9 32 1 21 10 33 1 22 10 34 1 23 11 13 1 24 11 35 1 25 11 36 1 26 12 15 1 27 12 16 1 28 13 14 1 29 13 37 1 30 13 38 1 31 14 17 1 32 14 39 1 33 14 40 1 34 15 41 1 35 15 42 1 36 15 43 1 37 17 18 ar 38 18 20 1 39 19 21 1 40 20 44 1 41 20 45 1 42 20 46 1 43 21 22 ar 44 21 23 ar 45 22 25 ar 46 22 48 1 47 23 26 ar 48 23 49 1 49 24 25 ar 50 24 26 ar 51 24 27 1 52 25 50 1 53 26 51 1 54 27 52 1 55 27 53 1 56 27 54 1