B1BCO8
-OEChem-04012112452D
38 40 0 0 0 0 0 0 0999 V2000
3.0000 2.0194 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.6132 -1.3323 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 2.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -1.9806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 3.0194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8090 -2.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -0.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7601 -2.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1910 -2.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 -0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -3.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -3.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9680 -1.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5032 -2.9285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9190 -0.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4543 -2.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6622 -1.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 3.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6013 -2.3768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 -0.7906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4030 -0.7906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8644 -4.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 0.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4030 0.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1356 -4.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5072 -0.8663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3743 -3.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5369 3.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0480 -0.3657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9150 -3.0343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4440 4.0564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 3.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8240 2.9825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 4 2 0 0 0 0
1 6 1 0 0 0 0
1 9 1 0 0 0 0
2 22 1 0 0 0 0
5 7 1 0 0 0 0
5 8 1 0 0 0 0
5 11 1 0 0 0 0
6 23 1 0 0 0 0
6 33 1 0 0 0 0
7 10 1 0 0 0 0
7 14 2 0 0 0 0
8 12 2 0 0 0 0
8 13 1 0 0 0 0
9 15 2 0 0 0 0
9 16 1 0 0 0 0
10 18 2 0 0 0 0
10 19 1 0 0 0 0
11 17 2 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 16 2 0 0 0 0
13 26 1 0 0 0 0
14 17 1 0 0 0 0
14 27 1 0 0 0 0
15 28 1 0 0 0 0
16 29 1 0 0 0 0
17 30 1 0 0 0 0
18 20 1 0 0 0 0
18 31 1 0 0 0 0
19 21 2 0 0 0 0
19 32 1 0 0 0 0
20 22 2 0 0 0 0
20 34 1 0 0 0 0
21 22 1 0 0 0 0
21 35 1 0 0 0 0
23 36 1 0 0 0 0
23 37 1 0 0 0 0
23 38 1 0 0 0 0
M END
$$$$