B4BN5I -OEChem-04022102402D 52 53 0 1 0 0 0 0 0999 V2000 3.7320 1.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 O 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 4.5981 2.7500 0.0000 C 0 0 3 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 5.4641 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 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 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 4.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 3.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -4.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -3.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -4.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -4.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 6.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -5.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -5.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 12 1 0 0 0 0 3 27 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 13 20 1 0 0 0 0 13 32 1 0 0 0 0 14 21 2 0 0 0 0 14 33 1 0 0 0 0 15 23 1 0 0 0 0 15 34 1 0 0 0 0 16 24 2 0 0 0 0 16 35 1 0 0 0 0 17 19 1 0 0 0 0 17 22 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 26 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 25 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 M END $$$$