B7PYA2
-OEChem-04012119182D
54 57 0 1 0 0 0 0 0999 V2000
9.8622 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.3263 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.3263 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -0.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
5.5321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5942 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4603 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4603 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5942 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3263 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3263 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1426 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7441 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2675 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0646 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0646 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2675 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9996 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7966 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 -1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -0.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 0.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7272 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5331 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5942 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1913 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5942 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9463 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3263 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7063 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7063 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3263 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9463 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 21 2 0 0 0 0
2 25 1 0 0 0 0
2 28 1 0 0 0 0
3 26 1 0 0 0 0
3 29 1 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 10 1 0 0 0 0
5 7 1 0 0 0 0
5 30 1 0 0 0 0
5 31 1 0 0 0 0
6 8 1 0 0 0 0
6 32 1 0 0 0 0
6 33 1 0 0 0 0
7 9 1 0 0 0 0
7 34 1 0 0 0 0
7 35 1 0 0 0 0
8 9 1 0 0 0 0
8 12 2 0 0 0 0
9 13 2 0 0 0 0
10 11 1 0 0 0 0
10 36 1 0 0 0 0
10 37 1 0 0 0 0
11 16 2 0 0 0 0
11 17 1 0 0 0 0
12 14 1 0 0 0 0
12 38 1 0 0 0 0
13 15 1 0 0 0 0
13 39 1 0 0 0 0
14 15 2 0 0 0 0
14 40 1 0 0 0 0
15 41 1 0 0 0 0
16 19 1 0 0 0 0
16 42 1 0 0 0 0
17 20 2 0 0 0 0
17 43 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
18 21 1 0 0 0 0
19 44 1 0 0 0 0
20 45 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
23 25 1 0 0 0 0
23 46 1 0 0 0 0
24 27 2 0 0 0 0
24 47 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 48 1 0 0 0 0
28 49 1 0 0 0 0
28 50 1 0 0 0 0
28 51 1 0 0 0 0
29 52 1 0 0 0 0
29 53 1 0 0 0 0
29 54 1 0 0 0 0
M END
$$$$