BNA5E3
-OEChem-04022105032D
47 46 0 1 0 0 0 0 0999 V2000
5.1350 -1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.9292 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.0632 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 0.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.0010 -0.6900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.5991 0.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.8671 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.5991 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 0.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4030 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0632 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5571 -1.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4040 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1771 -0.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2191 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9791 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0230 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7830 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5772 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8172 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4662 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12 1 1 1 0 0 0
1 38 1 0 0 0 0
2 14 2 0 0 0 0
3 16 2 0 0 0 0
4 17 2 0 0 0 0
5 23 1 0 0 0 0
5 47 1 0 0 0 0
6 23 2 0 0 0 0
11 7 1 6 0 0 0
7 16 1 0 0 0 0
7 27 1 0 0 0 0
13 8 1 1 0 0 0
8 14 1 0 0 0 0
8 28 1 0 0 0 0
9 17 1 0 0 0 0
20 9 1 6 0 0 0
9 37 1 0 0 0 0
18 10 1 1 0 0 0
10 45 1 0 0 0 0
10 46 1 0 0 0 0
11 12 1 0 0 0 0
11 14 1 0 0 0 0
11 24 1 0 0 0 0
12 15 1 0 0 0 0
12 25 1 0 0 0 0
13 17 1 0 0 0 0
13 19 1 0 0 0 0
13 26 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 18 1 0 0 0 0
18 21 1 0 0 0 0
18 32 1 0 0 0 0
19 33 1 0 0 0 0
19 34 1 0 0 0 0
19 35 1 0 0 0 0
20 22 1 0 0 0 0
20 23 1 0 0 0 0
20 36 1 0 0 0 0
21 39 1 0 0 0 0
21 40 1 0 0 0 0
21 41 1 0 0 0 0
22 42 1 0 0 0 0
22 43 1 0 0 0 0
22 44 1 0 0 0 0
M END
$$$$