B4AIB5 -OEChem-04012116582D 45 48 0 0 0 0 0 0 0999 V2000 6.3301 1.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -4.6077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.1970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -2.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -3.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -1.8856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -1.1953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.1953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.8856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -0.4106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 0.2796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 0.2796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.4106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 -2.4089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.4230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -4.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 -5.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4800 -3.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.3870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.8870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.8870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 4 15 1 0 0 0 0 4 19 1 0 0 0 0 4 39 1 0 0 0 0 5 13 1 0 0 0 0 5 20 1 0 0 0 0 5 41 1 0 0 0 0 6 26 3 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 14 17 1 0 0 0 0 14 35 1 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 37 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 21 42 1 0 0 0 0 22 24 1 0 0 0 0 22 43 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 M END $$$$