BVR52F
-OEChem-04022100122D
40 42 0 0 0 0 0 0 0999 V2000
2.8660 1.3100 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 0.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 2.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.3100 0.0000 H 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
5.7932 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 2.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 1.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 2 0 0 0 0
1 8 1 0 0 0 0
1 20 1 0 0 0 0
4 16 1 0 0 0 0
4 39 1 0 0 0 0
4 40 1 0 0 0 0
5 6 2 0 0 0 0
5 7 1 0 0 0 0
5 12 1 0 0 0 0
6 9 1 0 0 0 0
6 13 1 0 0 0 0
7 10 2 0 0 0 0
7 11 1 0 0 0 0
8 14 2 0 0 0 0
8 15 1 0 0 0 0
9 18 2 0 0 0 0
9 19 1 0 0 0 0
10 14 1 0 0 0 0
10 24 1 0 0 0 0
11 15 2 0 0 0 0
11 25 1 0 0 0 0
12 17 2 0 0 0 0
12 26 1 0 0 0 0
13 16 2 0 0 0 0
13 27 1 0 0 0 0
14 28 1 0 0 0 0
15 29 1 0 0 0 0
16 17 1 0 0 0 0
17 30 1 0 0 0 0
18 21 1 0 0 0 0
18 31 1 0 0 0 0
19 22 2 0 0 0 0
19 32 1 0 0 0 0
20 33 1 0 0 0 0
20 34 1 0 0 0 0
20 35 1 0 0 0 0
21 23 2 0 0 0 0
21 36 1 0 0 0 0
22 23 1 0 0 0 0
22 37 1 0 0 0 0
23 38 1 0 0 0 0
M END
$$$$