B6AKI9 -OEChem-04022109212D 44 46 0 1 0 0 0 0 0999 V2000 3.0981 5.3301 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.9641 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -5.3301 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -3.5981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5981 -2.4641 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5981 -0.7321 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 3.5981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.9641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.4641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 2.7320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -2.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0981 -1.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -1.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 -1.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5981 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 4.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -2.3815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -3.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 -1.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7881 -1.0611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5611 -1.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -0.7321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4081 0.6709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.0841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.1541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 5.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4781 3.5981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 19 1 0 0 0 0 3 19 1 0 0 0 0 4 19 1 0 0 0 0 5 22 1 0 0 0 0 6 24 1 0 0 0 0 7 28 1 0 0 0 0 8 16 1 0 0 0 0 8 20 1 0 0 0 0 9 26 2 0 0 0 0 10 14 1 0 0 0 0 10 20 2 0 0 0 0 11 20 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 23 1 0 0 0 0 12 26 1 0 0 0 0 12 42 1 0 0 0 0 13 27 1 0 0 0 0 13 30 2 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 6 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 19 1 6 0 0 0 16 34 1 0 0 0 0 17 21 1 0 0 0 0 17 22 2 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 24 25 2 0 0 0 0 25 39 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 31 2 0 0 0 0 29 43 1 0 0 0 0 30 31 1 0 0 0 0 30 44 1 0 0 0 0 M END $$$$