BS5B0K
-OEChem-04022102162D
42 44 0 0 0 0 0 0 0999 V2000
5.6804 -0.6985 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.6804 0.3015 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.6804 -0.6985 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.2785 -4.1985 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.9124 -4.5645 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.9124 -2.8325 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.0448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 0.8015 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2733 1.3893 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 4.0629 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8144 -2.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 -1.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -0.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6804 -1.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 -0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8144 -3.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8913 1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -2.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5464 -2.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5464 -3.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 -0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6804 -3.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 -1.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6804 -0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5823 2.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 2.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8424 1.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4124 -3.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 3.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4853 -0.3885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2774 -3.5085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -2.8185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0833 -1.8885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6794 -0.3885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6804 -4.3185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6794 -2.0085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9467 2.8420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6508 0.4906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4320 0.8887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0340 1.6699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0368 4.5645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0179 4.1277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 24 1 0 0 0 0
2 24 1 0 0 0 0
3 24 1 0 0 0 0
4 28 1 0 0 0 0
5 28 1 0 0 0 0
6 28 1 0 0 0 0
7 29 2 0 0 0 0
8 9 1 0 0 0 0
8 13 1 0 0 0 0
8 17 1 0 0 0 0
9 26 2 0 0 0 0
10 29 1 0 0 0 0
10 41 1 0 0 0 0
10 42 1 0 0 0 0
11 12 1 0 0 0 0
11 14 2 0 0 0 0
11 16 1 0 0 0 0
12 15 2 0 0 0 0
12 18 1 0 0 0 0
13 15 1 0 0 0 0
13 21 2 0 0 0 0
14 19 1 0 0 0 0
14 24 1 0 0 0 0
15 30 1 0 0 0 0
16 22 2 0 0 0 0
16 31 1 0 0 0 0
17 25 2 0 0 0 0
17 27 1 0 0 0 0
18 23 2 0 0 0 0
18 32 1 0 0 0 0
19 20 2 0 0 0 0
19 33 1 0 0 0 0
20 22 1 0 0 0 0
20 28 1 0 0 0 0
21 23 1 0 0 0 0
21 34 1 0 0 0 0
22 35 1 0 0 0 0
23 36 1 0 0 0 0
25 26 1 0 0 0 0
25 37 1 0 0 0 0
26 29 1 0 0 0 0
27 38 1 0 0 0 0
27 39 1 0 0 0 0
27 40 1 0 0 0 0
M END
$$$$