BB3XA1 -OEChem-04012114522D 45 48 0 1 0 0 0 0 0999 V2000 6.1808 3.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 0.8433 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7166 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9407 0.7153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3147 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 2.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 2.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9407 2.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8468 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8468 1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7166 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7166 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 3.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6362 2.4529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6820 3.3285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8064 3.3744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 1.5216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9336 3.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3825 2.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3825 0.9171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1797 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1797 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 9 1 0 0 0 0 2 19 1 0 0 0 0 3 10 1 0 0 0 0 3 38 1 0 0 0 0 4 17 2 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 5 30 1 0 0 0 0 6 13 1 0 0 0 0 6 23 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 11 2 0 0 0 0 10 13 2 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 12 15 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 16 19 2 0 0 0 0 16 32 1 0 0 0 0 17 21 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 26 1 0 0 0 0 24 41 1 0 0 0 0 25 27 2 0 0 0 0 25 42 1 0 0 0 0 26 28 2 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 M END $$$$