BIHS86
-OEChem-04022101052D
56 59 0 1 0 0 0 0 0999 V2000
4.2690 -0.6907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.6907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.6907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -2.6907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.6907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 1.8093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -3.6907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.3093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3648 1.8062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1229 4.8786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 -1.1907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.6907 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.4030 -2.1907 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.1350 -2.1907 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.4030 -1.1907 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.1350 -1.1907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5369 -0.6907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -4.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 0.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 2.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -5.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 0.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2250 2.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0171 3.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -0.6907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 0.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2170 3.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1191 3.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -1.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 0.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -0.6907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.0007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -2.8107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.8107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.5707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.5707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8469 -0.1537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.3807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2269 -1.2276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.3807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -3.3107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7830 -5.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -5.8107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0230 -5.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5576 3.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.0007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 1.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6788 3.6657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -1.8107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0021 0.6193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8243 2.1100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5872 5.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8681 -0.8807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0 0 0 0
1 16 1 0 0 0 0
12 2 1 6 0 0 0
2 19 1 0 0 0 0
16 3 1 1 0 0 0
3 18 1 0 0 0 0
13 4 1 1 0 0 0
4 43 1 0 0 0 0
14 5 1 6 0 0 0
5 44 1 0 0 0 0
6 20 1 0 0 0 0
6 23 1 0 0 0 0
7 19 2 0 0 0 0
8 21 2 0 0 0 0
9 26 1 0 0 0 0
9 54 1 0 0 0 0
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10 55 1 0 0 0 0
11 34 1 0 0 0 0
11 56 1 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
12 35 1 0 0 0 0
13 15 1 0 0 0 0
13 36 1 0 0 0 0
14 16 1 0 0 0 0
14 37 1 0 0 0 0
15 17 1 6 0 0 0
15 38 1 0 0 0 0
16 39 1 0 0 0 0
17 40 1 0 0 0 0
17 41 1 0 0 0 0
17 42 1 0 0 0 0
18 20 2 0 0 0 0
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19 24 1 0 0 0 0
20 25 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 26 2 0 0 0 0
23 27 2 0 0 0 0
24 45 1 0 0 0 0
24 46 1 0 0 0 0
24 47 1 0 0 0 0
25 28 2 0 0 0 0
25 29 1 0 0 0 0
26 30 1 0 0 0 0
27 31 1 0 0 0 0
27 48 1 0 0 0 0
28 32 1 0 0 0 0
28 49 1 0 0 0 0
29 33 2 0 0 0 0
29 50 1 0 0 0 0
30 31 2 0 0 0 0
30 51 1 0 0 0 0
32 34 2 0 0 0 0
32 52 1 0 0 0 0
33 34 1 0 0 0 0
33 53 1 0 0 0 0
M END
$$$$