B1SOC2 -OEChem-04012113492D 44 46 0 1 0 0 0 0 0999 V2000 2.0000 -1.5428 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -0.5670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -3.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 3.9330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.7263 2.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -0.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 0.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 2.9330 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3961 -3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -1.5670 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6641 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8962 -3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3962 -3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -1.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -3.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -2.0462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -3.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0067 -2.1747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6082 -1.4844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0671 -1.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3592 -4.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2062 -4.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4331 -3.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3962 -3.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0162 -3.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3962 -2.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9932 -0.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -0.9124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -4.2216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 -3.3999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8592 1.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7252 2.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 0.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 3.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5312 1.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 19 2 0 0 0 0 3 9 1 0 0 0 0 3 13 1 0 0 0 0 4 8 1 0 0 0 0 5 8 2 0 0 0 0 6 11 1 0 0 0 0 6 19 1 0 0 0 0 6 36 1 0 0 0 0 7 19 1 0 0 0 0 7 21 1 0 0 0 0 7 40 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 18 2 0 0 0 0 16 37 1 0 0 0 0 17 20 2 0 0 0 0 17 38 1 0 0 0 0 18 20 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 41 1 0 0 0 0 23 25 2 0 0 0 0 23 42 1 0 0 0 0 24 26 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 M CHG 2 4 -1 8 1 M END $$$$