@MOLECULE NONAME 39 41 1 0 0 SMALL USER_CHARGES @ATOM 1 C 0.1733 1.0901 0.4894 C.ar 1 <1> -0.1500 2 H 0.2092 0.0312 0.7354 H 1 <1> 0.1500 3 C 1.3406 1.8148 0.2494 C.ar 1 <1> -0.0090 4 C 1.2878 3.1781 -0.0381 C.ar 1 <1> -0.1500 5 H 2.1960 3.7530 -0.2050 H 1 <1> 0.1500 6 C 0.0463 3.8154 -0.1114 C.ar 1 <1> -0.1500 7 H 0.0172 4.8788 -0.3441 H 1 <1> 0.1500 8 C -1.1490 3.1047 0.1050 C.ar 1 <1> 0.0000 9 C -2.4535 3.7876 0.0295 C.ar 1 <1> 0.0000 10 C -1.0639 1.7358 0.4156 C.ar 1 <1> -0.1500 11 H -1.9671 1.1592 0.6093 H 1 <1> 0.1500 12 S 2.9134 1.0014 0.3508 S.o2 1 <1> 1.2038 13 C 3.1998 0.4662 -1.3160 C.3 1 <1> 0.1052 14 H1 4.1595 -0.0544 -1.3440 H 1 <1> 0.0000 15 H2 3.2325 1.3391 -1.9708 H 1 <1> 0.0000 16 H3 2.4001 -0.2142 -1.6151 H 1 <1> 0.0000 17 H1 -2.6975 -1.4545 -4.6133 H 1 <1> 0.0000 18 H2 -1.8480 -0.2519 -5.6000 H 1 <1> 0.0000 19 H3 -3.6045 -0.4304 -5.7589 H 1 <1> 0.0000 20 H -1.4782 3.2291 -2.8367 H 1 <1> 0.1500 21 O 3.9087 2.0039 0.6805 O.2 1 <1> -0.6500 22 O 2.7451 -0.1773 1.1793 O.2 1 <1> -0.6500 23 C -2.7453 4.7963 0.9660 C.ar 1 <1> -0.1500 24 H -2.0084 5.0699 1.7192 H 1 <1> 0.1500 25 C -3.9784 5.4354 0.9516 C.ar 1 <1> 0.1770 26 CL -4.3412 6.6606 2.0952 Cl 1 <1> -0.1770 27 C -4.9044 5.0537 0.0012 C.ar 1 <1> 0.1600 28 N -4.6752 4.0927 -0.9222 N.ar 1 <1> -0.6200 29 C -3.4580 3.4738 -0.9130 C.ar 1 <1> 0.3100 30 C -3.3114 2.4618 -1.9715 C.ar 1 <1> 0.0000 31 C -2.2453 2.4598 -2.8692 C.ar 1 <1> 0.1600 32 N -2.0544 1.5413 -3.8483 N.ar 1 <1> -0.6200 33 C -2.9838 0.5661 -3.9703 C.ar 1 <1> 0.1665 34 C -2.7722 -0.4530 -5.0484 C.3 1 <1> 0.1435 35 C -4.1012 0.4897 -3.1459 C.ar 1 <1> -0.1500 36 H -4.8386 -0.2968 -3.2727 H 1 <1> 0.1500 37 C -4.2605 1.4465 -2.1441 C.ar 1 <1> -0.1500 38 H -5.1303 1.3966 -1.4921 H 1 <1> 0.1500 39 H -5.8855 5.5158 -0.0540 H 1 <1> 0.1500 @BOND 1 1 2 1 2 1 3 ar 3 1 10 ar 4 3 4 ar 5 3 12 1 6 4 5 1 7 4 6 ar 8 6 7 1 9 6 8 ar 10 8 9 1 11 8 10 ar 12 9 23 ar 13 9 29 ar 14 10 11 1 15 12 13 1 16 12 21 2 17 12 22 2 18 13 14 1 19 13 15 1 20 13 16 1 21 17 34 1 22 18 34 1 23 19 34 1 24 20 31 1 25 23 24 1 26 23 25 ar 27 25 26 1 28 25 27 ar 29 27 28 ar 30 27 39 1 31 28 29 ar 32 29 30 1 33 30 31 ar 34 30 37 ar 35 31 32 ar 36 32 33 ar 37 33 34 1 38 33 35 ar 39 35 36 1 40 35 37 ar 41 37 38 1 @SUBSTRUCTURE 1 <1> 0 RESIDUE 1 **** * 1 # MOE 2007.09 (io_trps.svl 2007.09)