B3RW2B
-OEChem-04022108082D
49 51 0 0 0 0 0 0 0999 V2000
6.3671 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.8671 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8671 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8671 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8671 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0010 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7331 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3671 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7331 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0010 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3671 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0010 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7331 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3671 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7331 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0010 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3671 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8671 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8671 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8671 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2700 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0571 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2700 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0571 1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7365 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5335 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6675 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8705 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2700 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6771 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2700 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6771 1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8671 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8671 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4871 -0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0044 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8015 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 2 0 0 0 0
2 26 1 0 0 0 0
2 49 1 0 0 0 0
3 8 1 0 0 0 0
3 15 1 0 0 0 0
3 27 1 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 7 1 0 0 0 0
4 8 1 0 0 0 0
5 9 2 0 0 0 0
5 12 1 0 0 0 0
6 10 2 0 0 0 0
6 13 1 0 0 0 0
7 11 2 0 0 0 0
7 14 1 0 0 0 0
9 17 1 0 0 0 0
9 28 1 0 0 0 0
10 18 1 0 0 0 0
10 29 1 0 0 0 0
11 19 1 0 0 0 0
11 30 1 0 0 0 0
12 20 2 0 0 0 0
12 31 1 0 0 0 0
13 21 2 0 0 0 0
13 32 1 0 0 0 0
14 22 2 0 0 0 0
14 33 1 0 0 0 0
15 16 1 0 0 0 0
15 34 1 0 0 0 0
15 35 1 0 0 0 0
16 26 1 0 0 0 0
16 36 1 0 0 0 0
16 37 1 0 0 0 0
17 23 2 0 0 0 0
17 38 1 0 0 0 0
18 24 2 0 0 0 0
18 39 1 0 0 0 0
19 25 2 0 0 0 0
19 40 1 0 0 0 0
20 23 1 0 0 0 0
20 41 1 0 0 0 0
21 24 1 0 0 0 0
21 42 1 0 0 0 0
22 25 1 0 0 0 0
22 43 1 0 0 0 0
23 44 1 0 0 0 0
24 45 1 0 0 0 0
25 46 1 0 0 0 0
26 47 1 0 0 0 0
26 48 1 0 0 0 0
M END
$$$$