@MOLECULE (2s)-(4-isopropylphenyl)[(2-methyl-3-oxo-5,7-dipropyl-2,3-dihydro-1,2-benzoxazol-6-yl)oxy]acetate 31 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.4717 -1.3366 -0.2046 O.2 1 UNL1 -0.1867 2 O -2.8152 1.9485 -0.5745 O.2 1 UNL1 -0.3979 3 O -5.8630 -0.5838 0.2800 O.2 1 UNL1 -0.4342 4 O -0.4592 0.9991 2.4832 O.2 1 UNL1 -0.3430 5 O -0.3671 3.3188 2.7447 O.2 1 UNL1 -0.3162 6 N -5.3958 1.1763 -1.0379 N.am 1 UNL1 -0.6503 7 C -1.1722 0.2550 -0.4017 C.ar 1 UNL1 -0.3028 8 C -0.8839 -1.0740 -0.1912 C.ar 1 UNL1 0.2782 9 C -1.8689 -2.1066 0.0191 C.3 1 UNL1 -0.3489 10 C -2.5340 0.7878 -0.4374 C.2 1 UNL1 0.5258 11 C 0.1007 0.9401 -0.5661 C.ar 1 UNL1 0.2129 12 C -3.5861 -0.2771 -0.2636 C.2 1 UNL1 -0.3660 13 C -1.6168 -3.3957 0.2463 C.1 1 UNL1 0.5656 14 C -3.1471 -1.5071 -0.0564 C.2 1 UNL1 0.2184 15 C 0.3741 2.2243 -0.7841 C.1 1 UNL1 -0.5800 16 C 1.0804 -0.1085 -0.4290 C.ar 1 UNL1 0.1331 17 C -1.3636 -4.6182 0.4519 C.1 1 UNL1 -0.7411 18 C -5.0194 0.0609 -0.2912 C.2 1 UNL1 0.7038 19 C 2.4913 -0.0337 -0.4514 C.ar 1 UNL1 -0.1583 20 C 6.7278 -0.0247 -0.2293 C.2 1 UNL1 -0.8531 21 C 5.3851 0.4149 -0.4433 C.ar 1 UNL1 0.2766 22 C 0.6157 3.4606 -1.0357 C.1 1 UNL1 0.3466 23 C -1.0864 -5.8754 0.6598 C.3 1 UNL1 0.5884 24 C 3.4410 -1.0234 -0.1482 C.ar 1 UNL1 0.2092 25 C 3.1780 1.1309 -0.7488 C.ar 1 UNL1 0.1613 26 C 4.7706 -0.9096 -0.1083 C.ar 1 UNL1 -0.4886 27 C 4.4661 1.3386 -0.7518 C.ar 1 UNL1 -0.1828 28 C -5.7312 2.1538 -1.6312 C.1 1 UNL1 0.4092 29 C -0.4181 2.1611 2.6054 C.1 1 UNL1 0.6590 30 C 7.9871 0.3258 -0.2332 C.2 1 UNL1 0.5283 31 C 6.1343 -1.4607 0.1303 C.3 1 UNL1 0.5334 @BOND 1 28 6 3 2 6 18 am 3 22 15 3 4 15 11 1 5 27 25 ar 6 27 21 ar 7 25 19 ar 8 2 10 2 9 11 16 ar 10 11 7 ar 11 19 16 1 12 19 24 ar 13 21 20 1 14 21 26 ar 15 10 7 1 16 10 12 1 17 16 1 ar 18 7 8 ar 19 18 12 1 20 18 3 2 21 12 14 2 22 30 20 2 23 20 31 1 24 1 8 ar 25 8 9 1 26 24 26 ar 27 26 31 1 28 14 9 1 29 9 13 1 30 13 17 3 31 17 23 1 32 4 29 2 33 29 5 2