BUA6Y9 -OEChem-04012113382D 42 44 0 1 0 0 0 0 0999 V2000 4.5981 3.9820 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.9820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.4821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9641 -1.3840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -1.3840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -0.5179 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 4.5981 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -3.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4642 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9642 -3.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 -3.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2741 -0.8470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8815 -0.3059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0630 -0.3575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2741 -1.9209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2741 -0.8470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5841 -3.1160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 3.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.1020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 3.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -4.5190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3442 -3.1161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1541 -4.5190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.7920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 10 2 0 0 0 0 4 12 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 7 6 1 6 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 19 2 0 0 0 0 15 20 1 0 0 0 0 15 31 1 0 0 0 0 16 21 2 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 23 2 0 0 0 0 19 24 1 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 25 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$