LBET61 -OEChem-05022322252D 36 38 0 0 0 0 0 0 0999 V2000 8.1667 -2.1433 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.8512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9757 -0.7420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 -1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1448 -2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6394 -1.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.3262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.3262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -0.9588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 2.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.9712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3970 -2.9176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7042 -1.9973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2560 -1.3159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5746 -0.7641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 20 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 3 13 1 0 0 0 0 3 24 1 0 0 0 0 4 9 1 0 0 0 0 4 19 2 0 0 0 0 5 13 2 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 15 2 0 0 0 0 10 25 1 0 0 0 0 11 16 1 0 0 0 0 11 26 1 0 0 0 0 12 17 2 0 0 0 0 12 27 1 0 0 0 0 14 20 2 0 0 0 0 14 21 1 0 0 0 0 15 19 1 0 0 0 0 15 28 1 0 0 0 0 16 18 2 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 18 32 1 0 0 0 0 19 31 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 M END $$$$