@MOLECULE (5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2h-1,2,3-triazol-4-yl)acetic acid 63 67 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.3775 0.3526 -0.6715 C.3 1 UNL1111111111 -0.2676 2 C -1.1988 -4.0818 -0.4632 C.ar 1 UNL1111111111 -0.0799 3 C -0.1714 -3.1399 -0.5047 C.ar 1 UNL1111111111 -0.3058 4 C -0.4928 -1.8239 -0.8385 C.ar 1 UNL1111111111 0.2786 5 C -2.5146 -3.7169 -0.7277 C.ar 1 UNL1111111111 -0.2525 6 C -2.8204 -2.3870 -1.0437 C.ar 1 UNL1111111111 0.0781 7 C -1.8120 -1.4358 -1.1193 C.ar 1 UNL1111111111 -0.2713 8 C -4.2481 -1.9888 -1.3042 C.3 1 UNL1111111111 -0.2700 9 C -4.6060 -0.7854 -0.5235 C.ar 1 UNL1111111111 0.0404 10 C -5.0229 -0.6774 0.8547 C.ar 1 UNL1111111111 0.0068 11 C 9.5971 0.7692 0.5159 C.ar 1 UNL1111111111 -0.1562 12 C 8.3881 0.4869 -0.1139 C.ar 1 UNL1111111111 -0.1167 13 C -5.2414 -1.7347 1.8581 C.3 1 UNL1111111111 -0.3159 14 C -5.4008 3.4888 0.9352 C.ar 1 UNL1111111111 -0.1643 15 C 4.4507 -0.9955 -3.0005 C.3 1 UNL1111111111 -0.4347 16 C 4.6502 -0.3255 -1.7179 C.ar 1 UNL1111111111 0.0890 17 C 3.8450 0.2241 -0.7437 C.ar 1 UNL1111111111 0.0193 18 N 4.6753 0.7192 0.2785 N.ar 1 UNL1111111111 -0.3881 19 C 5.9189 0.4713 -0.0879 C.ar 1 UNL1111111111 0.2588 20 O 5.9697 -0.1800 -1.3221 O.2 1 UNL1111111111 -0.2447 21 C 7.1850 0.7543 0.5480 C.ar 1 UNL1111111111 -0.0529 22 C 7.1934 1.3033 1.8356 C.ar 1 UNL1111111111 -0.0972 23 C 8.4071 1.5813 2.4575 C.ar 1 UNL1111111111 -0.1586 24 C 9.6072 1.3146 1.7994 C.ar 1 UNL1111111111 -0.1203 25 C 1.7258 -1.0266 -0.4974 C.3 1 UNL1111111111 -0.0323 26 O 0.3888 -0.8004 -0.9547 O.3 1 UNL1111111111 -0.3391 27 N -5.2034 0.6420 1.1249 N.ar 1 UNL1111111111 -0.2349 28 N -4.9136 1.2979 -0.0187 N.ar 1 UNL1111111111 0.0310 29 N -4.5519 0.4728 -1.0295 N.ar 1 UNL1111111111 -0.2570 30 C -4.9426 2.7163 -0.1397 C.ar 1 UNL1111111111 0.1596 31 C -4.5071 3.3124 -1.3304 C.ar 1 UNL1111111111 -0.1617 32 C -4.5374 4.6991 -1.4371 C.ar 1 UNL1111111111 -0.1269 33 C -4.9928 5.4791 -0.3748 C.ar 1 UNL1111111111 -0.1526 34 C -5.4219 4.8738 0.8058 C.ar 1 UNL1111111111 -0.1257 35 C -3.9296 -2.3924 2.1917 C.2 1 UNL1111111111 0.6461 36 O -2.9923 -1.9497 2.7935 O.2 1 UNL1111111111 -0.4701 37 O -3.9278 -3.6646 1.7131 O.3 1 UNL1111111111 -0.5689 38 H 2.0782 1.0237 0.1676 H 1 UNL1111111111 0.1871 39 H 1.9766 0.8442 -1.5878 H 1 UNL1111111111 0.1725 40 H -0.9635 -5.1174 -0.2203 H 1 UNL1111111111 0.1430 41 H 0.8463 -3.4381 -0.2826 H 1 UNL1111111111 0.1635 42 H -3.3066 -4.4602 -0.6856 H 1 UNL1111111111 0.1606 43 H -2.0251 -0.3983 -1.3753 H 1 UNL1111111111 0.1875 44 H -4.3804 -1.8018 -2.3988 H 1 UNL1111111111 0.1847 45 H -4.9474 -2.8221 -1.0619 H 1 UNL1111111111 0.1729 46 H 10.5353 0.5634 0.0040 H 1 UNL1111111111 0.1539 47 H 8.3783 0.0603 -1.1171 H 1 UNL1111111111 0.1629 48 H -5.6832 -1.3121 2.7961 H 1 UNL1111111111 0.2030 49 H -5.9797 -2.4858 1.4855 H 1 UNL1111111111 0.1948 50 H -5.7305 3.0100 1.8602 H 1 UNL1111111111 0.1876 51 H 5.1757 -0.6555 -3.7605 H 1 UNL1111111111 0.1743 52 H 4.5729 -2.0896 -2.9143 H 1 UNL1111111111 0.1729 53 H 3.4411 -0.8082 -3.4050 H 1 UNL1111111111 0.1763 54 H 6.2465 1.5101 2.3414 H 1 UNL1111111111 0.1775 55 H 8.4171 2.0076 3.4591 H 1 UNL1111111111 0.1548 56 H 10.5551 1.5330 2.2882 H 1 UNL1111111111 0.1482 57 H 2.1997 -1.7982 -1.1268 H 1 UNL1111111111 0.1253 58 H 1.7106 -1.3481 0.5584 H 1 UNL1111111111 0.1419 59 H -4.1485 2.6966 -2.1587 H 1 UNL1111111111 0.1892 60 H -4.2007 5.1751 -2.3574 H 1 UNL1111111111 0.1560 61 H -5.0115 6.5633 -0.4667 H 1 UNL1111111111 0.1516 62 H -5.7750 5.4862 1.6350 H 1 UNL1111111111 0.1563 63 H -3.0549 -4.1231 1.8104 H 1 UNL1111111111 0.3596 @BOND 1 1 25 1 2 1 38 1 3 1 39 1 4 2 5 ar 5 2 40 1 6 3 2 ar 7 3 4 ar 8 3 41 1 9 4 7 ar 10 5 6 ar 11 5 42 1 12 6 8 1 13 7 6 ar 14 7 43 1 15 8 44 1 16 8 45 1 17 9 8 1 18 9 29 ar 19 10 9 ar 20 11 12 ar 21 11 46 1 22 12 21 ar 23 12 47 1 24 13 10 1 25 13 35 1 26 13 48 1 27 13 49 1 28 14 50 1 29 15 51 1 30 15 52 1 31 15 53 1 32 16 15 1 33 17 1 1 34 17 16 ar 35 18 17 ar 36 19 18 ar 37 19 20 ar 38 20 16 ar 39 21 19 1 40 22 21 ar 41 22 54 1 42 23 22 ar 43 23 55 1 44 24 11 ar 45 24 23 ar 46 24 56 1 47 25 26 1 48 25 57 1 49 25 58 1 50 26 4 1 51 27 10 ar 52 27 28 ar 53 28 29 ar 54 30 14 ar 55 30 28 1 56 31 30 ar 57 31 59 1 58 32 31 ar 59 32 33 ar 60 32 60 1 61 33 34 ar 62 33 61 1 63 34 14 ar 64 34 62 1 65 35 37 1 66 36 35 2 67 37 63 1