B9JHF3
-OEChem-04022102202D
48 50 0 0 0 0 0 0 0999 V2000
2.8660 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2520 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8535 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8067 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4082 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 1 0 0 0 0
1 26 1 0 0 0 0
2 12 2 0 0 0 0
3 16 2 0 0 0 0
4 12 1 0 0 0 0
4 13 1 0 0 0 0
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5 16 1 0 0 0 0
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6 22 1 0 0 0 0
6 27 2 0 0 0 0
7 23 1 0 0 0 0
7 28 2 0 0 0 0
8 10 1 0 0 0 0
8 11 2 0 0 0 0
8 12 1 0 0 0 0
9 10 2 0 0 0 0
9 14 1 0 0 0 0
9 16 1 0 0 0 0
10 29 1 0 0 0 0
11 17 1 0 0 0 0
13 18 1 0 0 0 0
13 30 1 0 0 0 0
13 31 1 0 0 0 0
14 17 2 0 0 0 0
14 32 1 0 0 0 0
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15 34 1 0 0 0 0
17 35 1 0 0 0 0
18 20 1 0 0 0 0
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26 44 1 0 0 0 0
26 45 1 0 0 0 0
26 46 1 0 0 0 0
27 47 1 0 0 0 0
28 48 1 0 0 0 0
M END
$$$$