B3KZR4 -OEChem-04012115462D 40 42 0 0 0 0 0 0 0999 V2000 4.5981 3.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -3.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 27 1 0 0 0 0 3 13 1 0 0 0 0 3 17 1 0 0 0 0 4 16 2 0 0 0 0 5 19 2 0 0 0 0 6 13 1 0 0 0 0 6 16 1 0 0 0 0 6 31 1 0 0 0 0 7 10 1 0 0 0 0 7 13 2 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 34 1 0 0 0 0 9 28 3 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 28 1 0 0 0 0 14 20 1 0 0 0 0 14 29 1 0 0 0 0 15 21 2 0 0 0 0 15 30 1 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 23 2 0 0 0 0 18 24 1 0 0 0 0 20 22 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 23 25 1 0 0 0 0 23 37 1 0 0 0 0 24 26 2 0 0 0 0 24 38 1 0 0 0 0 25 27 2 0 0 0 0 25 39 1 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 M END $$$$