BW3Q2A -OEChem-04022107062D 46 48 0 0 0 0 0 0 0999 V2000 4.5981 2.7990 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7990 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 1.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4580 -1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9580 -2.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 0.6038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 -1.0057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4580 -0.2010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9580 -1.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4580 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9580 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4580 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4580 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.4190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -1.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.3241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.3241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.8210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0670 1.1931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7680 0.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.4190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8754 -2.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5657 -2.5436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2680 -0.5301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0406 -1.7210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3504 -1.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5780 -2.7990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 5 23 2 0 0 0 0 6 28 1 0 0 0 0 6 46 1 0 0 0 0 7 17 1 0 0 0 0 7 31 1 0 0 0 0 8 13 1 0 0 0 0 8 19 1 0 0 0 0 8 35 1 0 0 0 0 9 14 1 0 0 0 0 9 19 2 0 0 0 0 10 19 1 0 0 0 0 10 23 1 0 0 0 0 10 36 1 0 0 0 0 11 23 1 0 0 0 0 11 27 1 0 0 0 0 11 43 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 18 1 0 0 0 0 15 29 1 0 0 0 0 16 18 2 0 0 0 0 16 30 1 0 0 0 0 17 20 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 24 2 0 0 0 0 22 25 1 0 0 0 0 22 37 1 0 0 0 0 24 26 1 0 0 0 0 24 38 1 0 0 0 0 25 26 2 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 27 28 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 M END $$$$