@MOLECULE diiodomethyl 4-methylphenyl sulfone 21 21 0 0 0 SMALL USER_CHARGES @ATOM 1 I -0.0580 -1.7908 0.0233 I 1 UNL111111 0.0302 2 I 2.7744 0.4541 -0.1719 I 1 UNL111111 0.0737 3 S -0.2839 1.4772 0.4299 S.O2 1 UNL111111 2.1851 4 O -0.0095 1.3740 1.8431 O.2 1 UNL111111 -0.8651 5 O -0.0080 2.6843 -0.3159 O.2 1 UNL111111 -0.8806 6 C -1.9648 1.0502 0.1575 C.ar 1 UNL111111 -0.4331 7 C -2.5677 1.3443 -1.0651 C.ar 1 UNL111111 -0.0474 8 C -2.7065 0.4506 1.1747 C.ar 1 UNL111111 -0.0340 9 C -4.6398 0.3813 -0.2753 C.ar 1 UNL111111 0.1077 10 C 0.6488 0.1882 -0.4668 C.3 1 UNL111111 -0.5591 11 C -3.8991 1.0049 -1.2845 C.ar 1 UNL111111 -0.2193 12 C -4.0389 0.1111 0.9576 C.ar 1 UNL111111 -0.2207 13 C -6.0586 -0.0015 -0.5156 C.3 1 UNL111111 -0.4760 14 H -2.0135 1.8571 -1.8588 H 1 UNL111111 0.1655 15 H -2.2549 0.2436 2.1537 H 1 UNL111111 0.1766 16 H 0.4918 0.3061 -1.5543 H 1 UNL111111 0.1837 17 H -4.3654 1.2299 -2.2409 H 1 UNL111111 0.1571 18 H -4.6122 -0.3645 1.7501 H 1 UNL111111 0.1578 19 H -6.6664 0.0397 0.3999 H 1 UNL111111 0.1648 20 H -6.5524 0.6463 -1.2539 H 1 UNL111111 0.1639 21 H -6.1252 -1.0328 -0.8985 H 1 UNL111111 0.1692 @BOND 1 17 11 1 2 14 7 1 3 16 10 1 4 11 7 ar 5 11 9 ar 6 20 13 1 7 7 6 ar 8 21 13 1 9 13 9 1 10 13 19 1 11 10 2 1 12 10 1 1 13 10 3 1 14 5 3 2 15 9 12 ar 16 6 3 1 17 6 8 ar 18 3 4 2 19 12 8 ar 20 12 18 1 21 8 15 1