BN3YQ0 -OEChem-04012114092D 40 42 0 1 0 0 0 0 0999 V2000 2.9834 3.1226 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.5905 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.5905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4095 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -0.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6110 2.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5958 2.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9682 3.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9378 3.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2386 1.9378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3102 4.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2950 4.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -1.7195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -0.8019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -1.4922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -1.4922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -0.8019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -2.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -4.2195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.0295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5484 3.7512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7636 1.5392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6371 1.4628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7136 2.3363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9117 4.7108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5071 4.9922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 11 1 0 0 0 0 2 16 1 0 0 0 0 3 9 1 0 0 0 0 3 33 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 24 1 0 0 0 0 6 9 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 10 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 13 15 2 0 0 0 0 13 30 1 0 0 0 0 14 17 2 0 0 0 0 14 31 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 34 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 20 23 2 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 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 M END $$$$