@MOLECULE profenofos 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 BR -4.6796 -0.1043 0.1442 Br 1 UNL111111 -0.0539 2 CL 0.3965 -1.7580 -1.1169 Cl 1 UNL111111 -0.0730 3 S 4.0276 0.2635 0.7532 S.3 1 UNL111111 0.1757 4 P 2.3580 1.4611 0.3809 P.3 1 UNL111111 0.2477 5 O 1.2924 0.2760 0.7145 O.3 1 UNL111111 -0.3582 6 O 2.1107 1.8951 -1.1268 O.3 1 UNL111111 -0.2770 7 O 2.2222 2.6994 1.1442 O.2 1 UNL111111 -0.2273 8 C 3.7529 -1.4567 0.0985 C.3 1 UNL111111 -0.2814 9 C 2.9776 -2.3338 1.0771 C.3 1 UNL111111 -0.2441 10 C 2.8928 -3.7639 0.5386 C.3 1 UNL111111 -0.4400 11 C -0.0486 0.3245 0.5425 C.ar 1 UNL111111 0.2940 12 C 2.0634 1.0573 -2.2989 C.3 1 UNL111111 -0.0045 13 C -0.6115 -0.6761 -0.2675 C.ar 1 UNL111111 -0.1028 14 C -0.8950 1.1998 1.2406 C.ar 1 UNL111111 -0.2177 15 C 0.6863 1.3007 -2.9081 C.3 1 UNL111111 -0.4689 16 C -1.9856 -0.8236 -0.3898 C.ar 1 UNL111111 -0.1269 17 C -2.2733 1.0656 1.1170 C.ar 1 UNL111111 -0.1019 18 C -2.7980 0.0626 0.3065 C.ar 1 UNL111111 -0.0736 19 H 4.7793 -1.8486 -0.0477 H 1 UNL111111 0.1580 20 H 3.2767 -1.4668 -0.8981 H 1 UNL111111 0.1612 21 H 3.4555 -2.3378 2.0769 H 1 UNL111111 0.1442 22 H 1.9504 -1.9449 1.2475 H 1 UNL111111 0.1660 23 H 3.8822 -4.2209 0.4376 H 1 UNL111111 0.1371 24 H 2.3041 -4.4002 1.2104 H 1 UNL111111 0.1470 25 H 2.4065 -3.7995 -0.4430 H 1 UNL111111 0.1479 26 H 2.8713 1.4910 -2.9302 H 1 UNL111111 0.1296 27 H 2.2656 -0.0168 -2.1587 H 1 UNL111111 0.1202 28 H -0.4783 1.9824 1.8791 H 1 UNL111111 0.1939 29 H 0.6202 0.8795 -3.9164 H 1 UNL111111 0.1508 30 H -0.1176 0.8583 -2.3070 H 1 UNL111111 0.1597 31 H 0.4709 2.3771 -2.9710 H 1 UNL111111 0.1642 32 H -2.4058 -1.6125 -1.0176 H 1 UNL111111 0.1818 33 H -2.9284 1.7507 1.6596 H 1 UNL111111 0.1721 @BOND 1 29 15 1 2 31 15 1 3 26 12 1 4 15 30 1 5 15 12 1 6 12 27 1 7 12 6 1 8 6 4 1 9 2 13 1 10 32 16 1 11 20 8 1 12 25 10 1 13 16 13 ar 14 16 18 ar 15 13 11 ar 16 19 8 1 17 8 3 1 18 8 9 1 19 1 18 1 20 18 17 ar 21 4 5 1 22 4 3 1 23 4 7 2 24 23 10 1 25 10 9 1 26 10 24 1 27 11 5 1 28 11 14 ar 29 9 22 1 30 9 21 1 31 17 14 ar 32 17 33 1 33 14 28 1