BC4KI8 -OEChem-04022105512D 55 58 0 0 0 0 0 0 0999 V2000 2.0000 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6766 -1.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -0.2708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7500 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 4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7500 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 9.7942 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 -0.7742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1904 -0.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3301 0.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0583 -0.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1981 1.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0622 0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 2.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 2.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0580 -1.2476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8550 -1.2506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6810 1.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1300 1.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1880 -1.4008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7944 1.0346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5941 -0.5962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2005 1.8392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6003 1.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 20 1 0 0 0 0 2 52 1 0 0 0 0 3 18 2 0 0 0 0 4 22 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 6 45 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 7 24 1 0 0 0 0 8 19 1 0 0 0 0 8 25 2 0 0 0 0 9 31 3 0 0 0 0 10 13 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 14 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 16 23 1 0 0 0 0 17 22 1 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 21 26 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 25 31 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 50 1 0 0 0 0 28 30 2 0 0 0 0 28 51 1 0 0 0 0 29 32 2 0 0 0 0 29 53 1 0 0 0 0 30 32 1 0 0 0 0 30 54 1 0 0 0 0 32 55 1 0 0 0 0 M END $$$$