@MOLECULE s-methyl 5-[(1e)-1-(3,7-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-penten-1-yl]-2-methoxy-3-methylbenzenecarbothioate 65 68 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.2583 5.7089 -0.0543 C.3 1 UNL1111111111 -0.1958 2 C 4.4931 3.6818 1.7101 C.3 1 UNL1111111111 -0.4920 3 C -1.6537 3.8329 -2.5702 C.3 1 UNL1111111111 -0.4435 4 C 7.4556 -3.4959 1.4912 C.3 1 UNL1111111111 -0.4361 5 C -3.7610 -1.1229 3.5100 C.3 1 UNL1111111111 -0.4407 6 C -6.1046 -1.6745 -2.1371 C.3 1 UNL1111111111 -0.2085 7 O 1.5529 3.9771 1.9975 O.2 1 UNL1111111111 -0.4216 8 O -7.7860 -2.2089 0.2881 O.2 1 UNL1111111111 -0.4338 9 C 0.0017 -1.5988 -0.9086 C.2 1 UNL1111111111 -0.1160 10 C -1.2159 1.6082 -1.5056 C.ar 1 UNL1111111111 -0.1463 11 C -2.3298 -0.9004 1.4393 C.ar 1 UNL1111111111 -0.2006 12 C 0.4359 1.3467 0.2503 C.ar 1 UNL1111111111 -0.1179 13 C -3.2196 -1.2438 -0.8186 C.ar 1 UNL1111111111 -0.2238 14 C 1.3499 -1.3375 -1.4930 C.3 1 UNL1111111111 -0.2759 15 C 2.4124 -2.1914 -0.7881 C.3 1 UNL1111111111 -0.2510 16 C 3.8202 -1.7352 -1.2078 C.3 1 UNL1111111111 -0.2749 17 N 6.1567 -4.4321 -0.5085 N.ar 1 UNL1111111111 -0.2291 18 N 5.1410 -3.9354 -1.2675 N.ar 1 UNL1111111111 -0.2305 19 O 0.4380 4.8110 -0.9174 O.3 1 UNL1111111111 -0.3513 20 O 5.6384 -2.4207 0.2765 O.2 1 UNL1111111111 -0.2885 21 O -5.9153 -1.7537 1.5140 O.2 1 UNL1111111111 -0.2804 22 S 3.4314 2.8521 0.4931 S.3 1 UNL1111111111 -0.0420 23 C 1.7646 3.2952 1.0345 C.2 1 UNL1111111111 0.4403 24 C -0.8387 -0.6345 -0.5124 C.2 1 UNL1111111111 -0.0710 25 C -0.9317 2.9692 -1.5994 C.ar 1 UNL1111111111 -0.0159 26 C 6.4651 -3.5327 0.4184 C.ar 1 UNL1111111111 0.2478 27 C -3.5706 -1.1673 2.0401 C.ar 1 UNL1111111111 0.0515 28 C -0.5343 0.8008 -0.5909 C.ar 1 UNL1111111111 -0.0068 29 C -2.1630 -0.9407 0.0538 C.ar 1 UNL1111111111 0.0297 30 C 4.8208 -2.7326 -0.8064 C.ar 1 UNL1111111111 0.2233 31 C 0.7342 2.7047 0.1639 C.ar 1 UNL1111111111 -0.1956 32 C 0.0505 3.5046 -0.7543 C.ar 1 UNL1111111111 0.2041 33 C -6.6177 -1.9543 0.3118 C.ar 1 UNL1111111111 0.6568 34 C -4.4472 -1.5021 -0.2368 C.ar 1 UNL1111111111 0.1142 35 C -4.6031 -1.4642 1.1740 C.ar 1 UNL1111111111 0.0502 36 N -5.7016 -1.8706 -0.7550 N.ar 1 UNL1111111111 -0.4391 37 H 0.1872 6.6775 -0.3134 H 1 UNL1111111111 0.1513 38 H -1.3298 5.6979 -0.2703 H 1 UNL1111111111 0.1293 39 H -0.0649 5.4649 0.9971 H 1 UNL1111111111 0.1495 40 H 3.9084 4.1915 2.4909 H 1 UNL1111111111 0.1867 41 H 5.1449 2.9520 2.2039 H 1 UNL1111111111 0.1699 42 H 5.1185 4.4372 1.2198 H 1 UNL1111111111 0.1701 43 H -2.6436 4.1227 -2.1854 H 1 UNL1111111111 0.1616 44 H -1.1032 4.7637 -2.7854 H 1 UNL1111111111 0.1733 45 H -1.8131 3.3290 -3.5336 H 1 UNL1111111111 0.1566 46 H 8.2158 -2.7116 1.3213 H 1 UNL1111111111 0.1847 47 H 6.9931 -3.2910 2.4733 H 1 UNL1111111111 0.1834 48 H 7.9937 -4.4600 1.5750 H 1 UNL1111111111 0.1943 49 H -3.6833 -0.0919 3.8911 H 1 UNL1111111111 0.1684 50 H -4.7495 -1.5028 3.8153 H 1 UNL1111111111 0.1718 51 H -3.0063 -1.7238 4.0386 H 1 UNL1111111111 0.1634 52 H -7.1223 -2.0869 -2.2932 H 1 UNL1111111111 0.1734 53 H -6.1155 -0.6057 -2.4178 H 1 UNL1111111111 0.1452 54 H -5.4103 -2.2121 -2.8097 H 1 UNL1111111111 0.1563 55 H -0.2725 -2.6522 -0.8263 H 1 UNL1111111111 0.1556 56 H -1.9771 1.1665 -2.1485 H 1 UNL1111111111 0.1626 57 H -1.4786 -0.6519 2.0726 H 1 UNL1111111111 0.1711 58 H 0.9522 0.7088 0.9694 H 1 UNL1111111111 0.1725 59 H -3.0702 -1.2746 -1.8915 H 1 UNL1111111111 0.1703 60 H 1.3317 -1.5688 -2.5800 H 1 UNL1111111111 0.1533 61 H 1.6229 -0.2619 -1.4311 H 1 UNL1111111111 0.1641 62 H 2.3018 -2.1150 0.3110 H 1 UNL1111111111 0.1509 63 H 2.2663 -3.2625 -1.0349 H 1 UNL1111111111 0.1553 64 H 3.8624 -1.5883 -2.3138 H 1 UNL1111111111 0.1817 65 H 4.0493 -0.7381 -0.7637 H 1 UNL1111111111 0.1838 @BOND 1 1 19 1 2 1 37 1 3 1 38 1 4 1 39 1 5 2 22 1 6 2 40 1 7 2 41 1 8 2 42 1 9 3 43 1 10 3 44 1 11 3 45 1 12 4 46 1 13 4 47 1 14 4 48 1 15 5 27 1 16 5 49 1 17 5 50 1 18 5 51 1 19 6 52 1 20 6 53 1 21 6 54 1 22 8 33 2 23 9 24 2 24 9 14 1 25 9 55 1 26 10 25 ar 27 10 56 1 28 11 29 ar 29 11 57 1 30 12 31 ar 31 12 58 1 32 13 29 ar 33 13 59 1 34 14 60 1 35 14 61 1 36 15 14 1 37 15 62 1 38 15 63 1 39 16 15 1 40 16 30 1 41 16 64 1 42 16 65 1 43 17 26 ar 44 18 17 ar 45 20 26 ar 46 21 33 ar 47 21 35 ar 48 22 23 1 49 23 7 2 50 24 28 1 51 25 3 1 52 25 32 ar 53 26 4 1 54 27 11 ar 55 28 10 ar 56 28 12 ar 57 29 24 1 58 30 18 ar 59 30 20 ar 60 31 23 1 61 31 32 ar 62 32 19 1 63 33 36 ar 64 34 13 ar 65 35 27 ar 66 35 34 ar 67 36 6 1 68 36 34 ar