B3NIF8 -OEChem-04022101162D 65 67 0 1 0 0 0 0 0999 V2000 8.9282 1.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 6.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2500 0.0000 O 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 4.5981 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.7500 0.0000 O 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 7.1962 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 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 1 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 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.7500 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 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 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 5.4641 -1.2500 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 4.5981 -1.7500 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 3.7320 5.7500 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 9.7942 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 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 5.4641 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.2500 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 2.8660 6.2500 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 4.5981 -4.7500 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 2.0000 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.9400 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 6.0747 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 3.0600 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 6.0010 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.3700 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 6.0010 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.4400 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 1.4631 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -4.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -6.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -6.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -5.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 24 1 0 0 0 0 3 14 2 0 0 0 0 4 15 2 0 0 0 0 5 16 2 0 0 0 0 6 31 1 0 0 0 0 6 37 1 0 0 0 0 7 34 1 0 0 0 0 7 38 1 0 0 0 0 11 8 1 1 0 0 0 8 16 1 0 0 0 0 8 44 1 0 0 0 0 9 14 1 0 0 0 0 9 17 1 0 0 0 0 9 45 1 0 0 0 0 10 15 1 0 0 0 0 10 18 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 15 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 17 21 2 0 0 0 0 18 24 1 0 0 0 0 18 25 2 0 0 0 0 19 22 2 0 0 0 0 19 47 1 0 0 0 0 20 26 2 0 0 0 0 21 27 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 28 2 0 0 0 0 23 29 1 0 0 0 0 24 32 2 0 0 0 0 25 33 1 0 0 0 0 25 50 1 0 0 0 0 26 30 1 0 0 0 0 26 51 1 0 0 0 0 27 30 2 0 0 0 0 27 52 1 0 0 0 0 28 31 1 0 0 0 0 28 53 1 0 0 0 0 29 35 2 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 31 34 2 0 0 0 0 32 36 1 0 0 0 0 32 56 1 0 0 0 0 33 36 2 0 0 0 0 33 57 1 0 0 0 0 34 35 1 0 0 0 0 35 58 1 0 0 0 0 36 59 1 0 0 0 0 37 60 1 0 0 0 0 37 61 1 0 0 0 0 37 62 1 0 0 0 0 38 63 1 0 0 0 0 38 64 1 0 0 0 0 38 65 1 0 0 0 0 M END $$$$