BRX9K5
-OEChem-04012120262D
30 30 0 1 0 0 0 0 0999 V2000
7.3671 2.1744 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -0.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 0.6356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.8644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -0.8644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.8644 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.1350 -0.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0580 1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6761 1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3671 2.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5380 -1.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5335 0.1105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7365 0.1105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4916 1.4755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7480 0.6864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9861 0.6864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2425 1.4755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8705 -1.3394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6675 -1.3394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4319 2.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7606 2.3033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8015 0.1105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0044 0.1105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5380 -2.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -1.4844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0 0 0 0
1 12 1 0 0 0 0
2 9 2 0 0 0 0
3 8 1 0 0 0 0
3 9 1 0 0 0 0
3 10 1 0 0 0 0
4 6 1 0 0 0 0
4 27 1 0 0 0 0
4 28 1 0 0 0 0
5 13 1 0 0 0 0
5 29 1 0 0 0 0
5 30 1 0 0 0 0
6 7 1 0 0 0 0
6 9 1 0 0 0 0
6 14 1 0 0 0 0
7 11 1 0 0 0 0
7 15 1 0 0 0 0
7 16 1 0 0 0 0
8 12 1 0 0 0 0
8 17 1 0 0 0 0
8 18 1 0 0 0 0
10 19 1 0 0 0 0
10 20 1 0 0 0 0
11 13 1 0 0 0 0
11 21 1 0 0 0 0
11 22 1 0 0 0 0
12 23 1 0 0 0 0
12 24 1 0 0 0 0
13 25 1 0 0 0 0
13 26 1 0 0 0 0
M END
$$$$