@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 -0.8061 2.4838 1.4499 S.3 1 UNL1 2.4297 2 C -1.3937 0.4432 -0.0494 C.3 1 UNL1 0.3961 3 O -1.4150 0.9304 1.2894 O.3 1 UNL1 -0.6914 4 C -1.7902 1.7038 -0.9432 C.3 1 UNL1 -0.1902 5 C -2.5813 -0.4415 -0.1471 C.2 1 UNL1 -0.1800 6 C -0.0562 -0.1066 -0.3352 C.ar 1 UNL1 -0.1907 7 C -1.1472 2.9058 -0.2024 C.3 1 UNL1 -0.3840 8 C 1.0510 0.3927 0.3054 C.ar 1 UNL1 0.1053 9 C -2.8474 -1.6700 0.2385 C.2 1 UNL1 0.1278 10 C -4.0235 -2.4658 0.2236 C.3 1 UNL1 -0.3384 11 C 2.3902 0.1409 0.2625 C.ar 1 UNL1 -0.1477 12 C 0.3323 -1.1122 -1.1918 C.ar 1 UNL1 -0.1859 13 C -3.7312 0.3211 -0.7022 C.2 1 UNL1 -0.2372 14 C 2.7641 -0.8858 -0.6718 C.ar 1 UNL1 0.4580 15 C -5.2160 -1.7126 -0.3384 C.2 1 UNL1 0.4293 16 O -1.5690 3.1937 2.4304 O.3 1 UNL1 -0.8111 17 O 0.6377 2.3591 1.5861 O.3 1 UNL1 -0.9528 18 C 1.6863 -1.4765 -1.3425 C.ar 1 UNL1 -0.4346 19 C -4.8549 -0.3687 -0.7515 C.2 1 UNL1 0.0340 20 C -4.2471 -3.4682 1.3017 C.2 1 UNL1 -0.8407 21 C 3.2951 0.9065 1.1037 C.2 1 UNL1 -0.6594 22 C -1.3954 1.7444 -2.3351 C.2 1 UNL1 -0.0198 23 O 3.9999 -1.1399 -1.0327 O.3 1 UNL1 -0.3432 24 O -6.3117 -2.2042 -0.4108 O.2 1 UNL1 -0.3624 25 C -0.6526 3.8942 -0.9653 C.2 1 UNL1 0.0469 26 C -3.3532 1.7070 -0.9947 C.3 1 UNL1 0.3868 27 C 0.7231 -2.1999 -2.1000 C.3 1 UNL1 0.3726 28 C -3.9410 -4.0143 0.0185 C.3 1 UNL1 0.5791 29 C 2.8301 1.9684 1.8235 C.3 1 UNL1 0.7407 30 C -4.5163 -3.6889 2.5643 C.2 1 UNL1 0.6114 31 C 4.6347 0.5237 1.1754 C.2 1 UNL1 0.3938 32 C -0.8521 2.7519 -2.9473 C.2 1 UNL1 0.0016 33 C -0.5170 3.8770 -2.2906 C.2 1 UNL1 0.0080 34 P 5.2670 -1.7255 -0.1701 P.3 1 UNL1 0.3302 35 O 6.3571 -1.5605 -1.1035 O.2 1 UNL1 -0.1252 36 O 4.8477 -2.6912 0.8195 O.3 1 UNL1 -0.2184 37 O 5.4487 -0.2760 0.8207 O.2 1 UNL1 -0.1385 @BOND 1 32 22 2 2 32 33 1 3 22 4 1 4 33 25 2 5 27 18 1 6 27 12 1 7 18 12 ar 8 18 14 ar 9 12 6 ar 10 35 34 2 11 23 14 1 12 23 34 1 13 26 4 1 14 26 13 1 15 25 7 1 16 4 7 1 17 4 2 1 18 19 13 2 19 19 15 1 20 13 5 1 21 14 11 ar 22 24 15 2 23 15 10 1 24 6 2 1 25 6 8 ar 26 7 1 1 27 34 36 1 28 34 37 1 29 5 2 1 30 5 9 2 31 2 3 1 32 28 10 1 33 28 20 1 34 10 9 1 35 10 20 1 36 11 8 ar 37 11 21 1 38 37 31 1 39 21 31 2 40 21 29 1 41 3 1 1 42 20 30 2 43 1 17 1 44 1 16 1