@MOLECULE 5-{2-[2-(3,3-dimethyl-1-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetoxy]ethyl}-4-methyl-3-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)methyl]-1,3-thiazol-3-ium 38 43 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -2.8564 3.1645 0.8237 S.3 1 UNL1 -0.0111 2 O 3.9348 0.4189 1.0728 O.3 1 UNL1 -0.4065 3 O 1.0307 1.1010 -1.1133 O.3 1 UNL1 -0.2348 4 O 1.0848 -1.1501 -0.7170 O.2 1 UNL1 -0.3609 5 O -8.7387 -0.1560 1.2041 O.2 1 UNL1 -0.3686 6 N -4.9311 1.7058 0.6737 N.ar 1 UNL1 -0.3903 7 N -8.2424 -1.7846 -0.3061 N.ar 1 UNL1 -0.4352 8 N -5.9598 -1.8988 -1.2308 N.ar 1 UNL1 -0.3539 9 C 4.2734 -0.0332 -0.2470 C.3 1 UNL1 0.2427 10 C 4.3659 -0.5441 2.1153 C.3 1 UNL1 -0.2851 11 C 4.7105 -1.4681 -0.0621 C.ar 1 UNL1 -0.0855 12 C 4.7795 -1.7464 1.3491 C.ar 1 UNL1 -0.0282 13 C 3.0928 0.0216 -1.0781 C.3 1 UNL1 0.0309 14 C 5.3986 0.8184 -0.7370 C.ar 1 UNL1 -0.0553 15 C 5.4685 0.0954 2.8364 C.3 1 UNL1 0.2904 16 C 3.1767 -0.7712 2.9487 C.3 1 UNL1 0.2931 17 C 5.0610 -2.5162 -0.8588 C.ar 1 UNL1 0.0261 18 C 5.1903 -3.0144 1.6415 C.ar 1 UNL1 -0.0275 19 C 1.6931 -0.1373 -0.9098 C.2 1 UNL1 0.5070 20 C 5.3787 1.6529 -1.8511 C.ar 1 UNL1 0.0442 21 C 6.6336 0.9066 -0.0913 C.ar 1 UNL1 0.0002 22 C 5.4470 -3.7271 -0.5099 C.ar 1 UNL1 0.0235 23 C 5.5161 -3.9883 0.8182 C.ar 1 UNL1 0.0360 24 C 6.3937 2.4125 -2.2390 C.ar 1 UNL1 -0.0308 25 C 7.6393 1.6687 -0.4832 C.ar 1 UNL1 -0.0287 26 C 7.5444 2.4421 -1.5669 C.ar 1 UNL1 0.0488 27 C -0.2246 1.1426 -0.7992 C.1 1 UNL1 0.1843 28 C -1.3957 1.3074 -0.4805 C.1 1 UNL1 -0.1562 29 C -2.6456 1.6222 -0.0366 C.3 1 UNL1 -0.0458 30 C -3.8692 0.9256 -0.0935 C.ar 1 UNL1 0.0735 31 C -6.1357 1.1106 0.7375 C.ar 1 UNL1 0.3743 32 C -4.5659 2.9073 1.2040 C.3 1 UNL1 0.3131 33 C -4.3530 -0.2002 -0.6125 C.ar 1 UNL1 0.0090 34 C -6.5851 -0.0385 0.2485 C.ar 1 UNL1 -0.4328 35 C -7.9255 -0.6223 0.4469 C.ar 1 UNL1 0.5836 36 C -5.6164 -0.8118 -0.6002 C.ar 1 UNL1 0.2307 37 C -7.2949 -2.3452 -1.0796 C.ar 1 UNL1 -0.0994 38 C -7.6339 -3.4949 -1.7966 C.3 1 UNL1 0.5249 @BOND 1 24 20 ar 2 24 26 ar 3 20 14 ar 4 38 37 1 5 26 25 ar 6 8 37 ar 7 8 36 ar 8 3 19 1 9 3 27 1 10 37 7 ar 11 13 19 1 12 13 9 1 13 19 4 2 14 17 22 ar 15 17 11 ar 16 27 28 3 17 14 9 1 18 14 21 ar 19 33 36 ar 20 33 30 ar 21 36 34 ar 22 22 23 ar 23 25 21 ar 24 28 29 1 25 7 35 ar 26 9 11 1 27 9 2 1 28 30 29 1 29 30 6 ar 30 11 12 ar 31 29 1 1 32 34 35 ar 33 34 31 ar 34 35 5 2 35 6 31 ar 36 6 32 1 37 23 18 ar 38 1 32 1 39 2 10 1 40 12 18 ar 41 12 10 1 42 10 15 1 43 10 16 1