BP1UC8
-OEChem-04012113562D
56 57 0 1 0 0 0 0 0999 V2000
5.9331 1.1706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5173 3.1269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1289 2.4067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2115 3.4870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8231 2.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0921 -0.1166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3979 -0.4767 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.5953 0.8313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8082 -1.8313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0953 -0.7075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7256 -0.6289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.4043 0.2435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8947 -2.2381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.0953 -0.7075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2256 -1.4949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.4613 4.3313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4063 -4.3313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.8352 0.5526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.4468 -0.1677 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.6273 1.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2389 0.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7863 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7037 -0.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1410 0.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6763 1.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2879 1.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5953 1.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6742 -2.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4684 2.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0800 2.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4613 2.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6742 -3.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4613 3.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5403 -3.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2456 0.7441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9076 0.2472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2470 1.5523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7136 2.1447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8586 0.8321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3252 1.4244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2210 -0.7230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5268 -1.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0566 1.8181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5900 1.2257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6682 1.0979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2016 0.5055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3833 2.4139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9847 1.7237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2848 -2.4390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8863 -1.7487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6734 1.7487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0719 2.4390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0637 -3.2237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4622 -3.9139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3884 3.7333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.0131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 24 2 0 0 0 0
2 29 1 0 0 0 0
2 55 1 0 0 0 0
3 30 1 0 0 0 0
3 56 1 0 0 0 0
4 29 2 0 0 0 0
5 30 2 0 0 0 0
18 6 1 1 0 0 0
6 24 1 0 0 0 0
6 41 1 0 0 0 0
19 7 1 6 0 0 0
7 24 1 0 0 0 0
7 42 1 0 0 0 0
8 12 1 0 0 0 0
8 22 1 0 0 0 0
8 27 1 0 0 0 0
9 13 1 0 0 0 0
9 23 1 0 0 0 0
9 28 1 0 0 0 0
10 14 1 0 0 0 0
10 22 2 0 0 0 0
11 15 1 0 0 0 0
11 23 2 0 0 0 0
12 14 2 0 0 0 0
13 15 2 0 0 0 0
16 33 3 0 0 0 0
17 34 3 0 0 0 0
18 20 1 0 0 0 0
18 22 1 0 0 0 0
18 35 1 0 0 0 0
19 21 1 0 0 0 0
19 23 1 0 0 0 0
19 36 1 0 0 0 0
20 25 1 0 0 0 0
20 37 1 0 0 0 0
20 38 1 0 0 0 0
21 26 1 0 0 0 0
21 39 1 0 0 0 0
21 40 1 0 0 0 0
25 29 1 0 0 0 0
25 43 1 0 0 0 0
25 44 1 0 0 0 0
26 30 1 0 0 0 0
26 45 1 0 0 0 0
26 46 1 0 0 0 0
27 31 1 0 0 0 0
27 47 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
28 50 1 0 0 0 0
31 33 1 0 0 0 0
31 51 1 0 0 0 0
31 52 1 0 0 0 0
32 34 1 0 0 0 0
32 53 1 0 0 0 0
32 54 1 0 0 0 0
M END
$$$$