B31MBQ -OEChem-04012118112D 67 70 0 1 0 0 0 0 0999 V2000 8.0622 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 -1.7500 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 7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.2500 0.0000 C 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 9.7942 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5542 -1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5542 0.2847 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 12.4603 -1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 -0.2292 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 4.5981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.7500 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 3.7320 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.7500 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 3.7320 4.7500 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 2.0000 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5470 -2.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5470 0.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9960 -1.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9960 0.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.5600 0.0000 H 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 3.1951 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -5.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -5.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.3700 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 2.0000 6.3700 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 1 10 2 0 0 0 0 2 17 2 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 7 4 1 6 0 0 0 4 17 1 0 0 0 0 4 40 1 0 0 0 0 5 10 1 0 0 0 0 5 15 1 0 0 0 0 5 43 1 0 0 0 0 6 18 1 0 0 0 0 6 25 1 0 0 0 0 6 51 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 14 1 0 0 0 0 12 19 2 0 0 0 0 13 16 2 0 0 0 0 13 42 1 0 0 0 0 14 16 1 0 0 0 0 14 20 2 0 0 0 0 15 18 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 17 21 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 22 1 0 0 0 0 19 49 1 0 0 0 0 20 23 1 0 0 0 0 20 50 1 0 0 0 0 21 24 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 52 1 0 0 0 0 23 53 1 0 0 0 0 24 27 2 0 0 0 0 24 54 1 0 0 0 0 25 30 2 0 0 0 0 25 31 1 0 0 0 0 26 28 1 0 0 0 0 26 55 1 0 0 0 0 27 29 1 0 0 0 0 27 32 1 0 0 0 0 28 29 2 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 30 33 1 0 0 0 0 30 58 1 0 0 0 0 31 34 2 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 33 35 2 0 0 0 0 33 63 1 0 0 0 0 34 35 1 0 0 0 0 34 64 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 M END $$$$