B89CQA
-OEChem-04022110412D
42 44 0 0 0 0 0 0 0999 V2000
2.0000 -2.0514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1387 1.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4068 1.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5301 -2.0272 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5301 -0.0272 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6641 -1.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6641 -0.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3961 -1.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7702 0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3961 -0.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7817 1.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7702 -2.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8641 -0.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2901 0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5301 -3.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2901 -2.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8641 -1.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9215 1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1962 -0.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1962 -1.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9331 2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2785 1.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0729 3.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8048 3.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3910 0.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0005 1.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7773 -2.6819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3284 -0.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9101 -3.0272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5301 -3.6472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1501 -3.0272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2829 -2.6819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3810 1.2136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7319 -0.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7319 -1.8601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3891 3.5606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5396 3.3434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7567 2.4939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1086 2.4667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3453 3.3110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5011 3.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1316 2.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 2 0 0 0 0
2 22 1 0 0 0 0
2 42 1 0 0 0 0
3 22 2 0 0 0 0
4 6 1 0 0 0 0
4 8 1 0 0 0 0
4 15 1 0 0 0 0
5 7 2 0 0 0 0
5 10 1 0 0 0 0
6 7 1 0 0 0 0
6 12 2 0 0 0 0
7 9 1 0 0 0 0
8 10 1 0 0 0 0
8 16 2 0 0 0 0
9 11 1 0 0 0 0
9 13 2 0 0 0 0
10 14 2 0 0 0 0
11 18 1 0 0 0 0
11 25 1 0 0 0 0
11 26 1 0 0 0 0
12 17 1 0 0 0 0
12 27 1 0 0 0 0
13 17 1 0 0 0 0
13 28 1 0 0 0 0
14 19 1 0 0 0 0
14 22 1 0 0 0 0
15 29 1 0 0 0 0
15 30 1 0 0 0 0
15 31 1 0 0 0 0
16 20 1 0 0 0 0
16 32 1 0 0 0 0
18 21 2 0 0 0 0
18 33 1 0 0 0 0
19 20 2 0 0 0 0
19 34 1 0 0 0 0
20 35 1 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
23 36 1 0 0 0 0
23 37 1 0 0 0 0
23 38 1 0 0 0 0
24 39 1 0 0 0 0
24 40 1 0 0 0 0
24 41 1 0 0 0 0
M END
$$$$