BKX3E9 -OEChem-04012115522D 50 53 0 0 0 0 0 0 0999 V2000 13.1206 0.6644 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7095 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -1.5755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 0.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4580 -1.7095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 -2.5142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 0.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1636 0.2520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 -0.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4580 -1.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4743 1.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4528 1.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8064 1.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7634 2.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1171 2.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0956 3.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -1.1844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -1.1844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 0.6828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 1.3731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -1.1844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -1.1844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -0.1018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.7921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.7655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.7655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.0895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -2.5195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.3295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0670 -3.1035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7680 -2.2464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1997 1.8190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3701 2.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7030 3.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2882 3.6929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 17 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 6 24 1 0 0 0 0 6 46 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 14 1 0 0 0 0 8 41 1 0 0 0 0 9 20 1 0 0 0 0 9 24 1 0 0 0 0 9 45 1 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 11 25 1 0 0 0 0 12 15 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 16 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 19 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 18 23 1 0 0 0 0 19 42 1 0 0 0 0 20 22 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 26 28 2 0 0 0 0 27 29 1 0 0 0 0 27 47 1 0 0 0 0 28 30 1 0 0 0 0 28 48 1 0 0 0 0 29 30 2 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 M END $$$$