B83VKR
-OEChem-04012120262D
27 27 0 1 0 0 0 0 0999 V2000
6.5010 2.1744 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.6356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.8644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -0.3644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.8644 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.1920 1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8100 1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5010 2.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 -1.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6256 1.4755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8820 0.6864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1200 0.6864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3764 1.4755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6675 0.1105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8705 0.1105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5658 2.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8946 2.3033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0044 -1.3394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8015 -1.3394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 -2.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.2556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 11 1 0 0 0 0
2 8 2 0 0 0 0
3 7 1 0 0 0 0
3 8 1 0 0 0 0
3 9 1 0 0 0 0
4 6 1 0 0 0 0
4 24 1 0 0 0 0
4 25 1 0 0 0 0
5 12 1 0 0 0 0
5 26 1 0 0 0 0
5 27 1 0 0 0 0
6 8 1 0 0 0 0
6 10 1 0 0 0 0
6 13 1 0 0 0 0
7 11 1 0 0 0 0
7 14 1 0 0 0 0
7 15 1 0 0 0 0
9 16 1 0 0 0 0
9 17 1 0 0 0 0
10 12 1 0 0 0 0
10 18 1 0 0 0 0
10 19 1 0 0 0 0
11 20 1 0 0 0 0
11 21 1 0 0 0 0
12 22 1 0 0 0 0
12 23 1 0 0 0 0
M END
$$$$