BUA03Z -OEChem-04022106172D 40 43 0 1 0 0 0 0 0999 V2000 4.8717 4.2092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3777 -0.6161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0627 2.6214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7367 -0.0618 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0772 -1.7601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7182 -2.3143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0782 -4.2092 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3717 1.6703 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3717 1.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6868 0.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0473 2.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 2.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3444 2.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8717 3.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6663 1.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0567 0.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 2.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0772 1.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3991 2.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 -0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7377 -2.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4177 -3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3787 -3.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0587 -4.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6283 1.1059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4604 0.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 0.5638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2869 3.4254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5249 3.1876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9652 2.5755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7962 1.7953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8809 3.4455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4903 0.6320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0050 2.2162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1288 -0.1837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4693 -1.8820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8098 -3.5802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9866 -2.9433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4682 -4.4781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 16 2 0 0 0 0 3 21 2 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 5 17 1 0 0 0 0 5 21 1 0 0 0 0 5 36 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 6 37 1 0 0 0 0 7 22 2 0 0 0 0 7 24 1 0 0 0 0 8 23 2 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 10 13 2 0 0 0 0 10 17 1 0 0 0 0 11 16 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 22 23 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$