@MOLECULE 4-[3-(4-hydroxy-5-isopropyl-2-methylphenyl)-1,1-dioxido-3h-2,1-benzoxathiol-3-yl]-2-isopropyl-5-methylphenyl dihydrogen phosphate 37 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 0.6504 2.9797 1.1038 S.3 1 UNL1 2.4244 2 P -5.0650 -1.6752 -0.4299 P.3 1 UNL1 0.3105 3 O 1.3915 1.4772 1.3246 O.3 1 UNL1 -0.6622 4 O -0.7834 2.8086 1.2288 O.3 1 UNL1 -0.9309 5 O 1.3331 3.9554 1.8893 O.3 1 UNL1 -0.8128 6 O -3.7171 -1.7609 0.4912 O.3 1 UNL1 -0.2997 7 O 5.7400 -3.0340 0.2332 O.2 1 UNL1 -0.3690 8 O -6.0328 -2.3979 0.3661 O.3 1 UNL1 -0.1439 9 O -4.7914 -1.4967 -1.8396 O.2 1 UNL1 -0.2325 10 O -5.4478 0.0038 0.0402 O.2 1 UNL1 -0.1403 11 C 1.3983 0.6916 0.1319 C.3 1 UNL1 0.3631 12 C 1.4757 1.6887 -1.0092 C.ar 1 UNL1 -0.0161 13 C 0.0872 -0.0358 0.0818 C.ar 1 UNL1 -0.2049 14 C 2.5862 -0.2129 0.1872 C.3 1 UNL1 0.0239 15 C 1.0645 3.0115 -0.5971 C.ar 1 UNL1 -0.3972 16 C -0.0878 -1.4580 0.0165 C.ar 1 UNL1 0.0840 17 C 3.9392 0.1386 0.3035 C.2 1 UNL1 -0.1831 18 C -1.0725 0.6559 0.2163 C.ar 1 UNL1 0.0375 19 C 2.3949 -1.5878 0.0934 C.2 1 UNL1 0.0046 20 C 1.8277 1.5440 -2.3194 C.ar 1 UNL1 -0.0029 21 C -2.3771 0.2839 0.3498 C.ar 1 UNL1 -0.0804 22 C 3.4350 -2.5682 0.0976 C.3 1 UNL1 -0.0551 23 C 1.0636 3.9800 -1.5516 C.ar 1 UNL1 0.0575 24 C -3.4084 1.2682 0.6213 C.2 1 UNL1 -0.6549 25 C -1.3886 -1.8509 0.0715 C.ar 1 UNL1 -0.0736 26 C 2.8258 -3.8797 -0.0287 C.2 1 UNL1 -0.6014 27 C -2.5601 -1.1372 0.2457 C.ar 1 UNL1 0.2869 28 C 4.9789 -0.7690 0.3228 C.2 1 UNL1 -0.3695 29 C 4.8565 -2.2034 0.2233 C.2 1 UNL1 0.4442 30 C 1.7990 2.5425 -3.1920 C.ar 1 UNL1 0.0434 31 C 1.0892 -2.2707 -0.0255 C.2 1 UNL1 -0.1677 32 C 5.3151 0.6195 0.4312 C.3 1 UNL1 0.3654 33 C 1.4203 3.7539 -2.8103 C.ar 1 UNL1 -0.0230 34 C -3.0681 2.4946 1.0974 C.3 1 UNL1 0.7103 35 C -4.7385 0.8972 0.3891 C.2 1 UNL1 0.3841 36 C 1.4225 -3.5690 -0.0948 C.2 1 UNL1 0.2303 37 C 3.4418 -5.0691 -0.0631 C.3 1 UNL1 0.6509 @BOND 1 30 33 ar 2 30 20 ar 3 33 23 ar 4 20 12 ar 5 9 2 2 6 23 15 ar 7 12 15 ar 8 12 11 1 9 15 1 1 10 2 10 1 11 2 8 1 12 2 6 1 13 36 26 2 14 36 31 1 15 37 26 1 16 26 22 1 17 31 16 1 18 31 19 2 19 16 25 ar 20 16 13 ar 21 10 35 1 22 25 27 ar 23 13 11 1 24 13 18 ar 25 19 22 1 26 19 14 1 27 22 29 1 28 11 14 1 29 11 3 1 30 14 17 1 31 18 21 ar 32 29 7 2 33 29 28 1 34 27 21 ar 35 27 6 1 36 17 28 2 37 17 32 1 38 28 32 1 39 21 24 1 40 35 24 2 41 24 34 1 42 1 4 1 43 1 3 1 44 1 5 1