compound 3c.mol ChemDraw04152116472D 44 49 0 0 0 0 0 0 0 0999 V2000 -0.1676 -2.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1676 -1.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5468 -1.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 -2.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5468 -2.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 -1.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2608 -2.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9752 -2.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9752 -3.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2608 -4.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5468 -3.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 -3.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5964 -4.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3108 -3.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3108 -2.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5964 -2.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6357 -1.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1876 -0.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7754 -0.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9683 -0.4494 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3001 -1.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 -0.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4397 -0.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6327 -0.4494 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7754 0.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5955 0.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9312 1.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4461 1.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 1.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2904 1.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1105 0.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6260 1.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9616 1.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7818 1.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2668 1.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9312 0.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7818 2.7367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2972 3.4036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6019 2.8230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9371 3.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1174 2.7367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9371 2.8230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6329 3.4036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9680 4.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39 40 1 0 37 38 2 0 37 39 1 0 28 37 1 0 43 44 1 0 41 42 2 0 41 43 1 0 34 41 1 0 1 2 2 0 2 3 1 0 1 4 1 0 1 5 1 0 2 6 1 0 5 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 5 1 0 4 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 4 1 0 6 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 6 1 0 3 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 3 1 0 23 25 1 1 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 25 1 0 19 31 1 1 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 31 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 37 38 39 40 M SBL 1 1 4 M SMT 1 CO2CH3 M SBV 1 4 -0.3356 -0.7537 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 41 42 43 44 M SBL 2 1 8 M SMT 2 ^CO2CH3 M SBV 2 8 0.3356 -0.7537 M END