BB3EH2 -OEChem-04022105012D 44 46 0 0 0 0 0 0 0999 V2000 7.1962 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.2500 0.0000 O 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 6.3301 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.7500 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 8.0622 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 2.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 3.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 19 1 0 0 0 0 2 24 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 8 1 0 0 0 0 4 14 1 0 0 0 0 4 35 1 0 0 0 0 5 14 2 0 0 0 0 5 20 1 0 0 0 0 6 18 1 0 0 0 0 6 23 2 0 0 0 0 7 25 3 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 2 0 0 0 0 16 19 2 0 0 0 0 16 36 1 0 0 0 0 17 22 2 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 21 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 25 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 M END $$$$