B2RKJ5
-OEChem-04022100402D
50 53 0 1 0 0 0 0 0999 V2000
2.8660 -0.0534 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.0534 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
11.9831 4.0534 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.5534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.0534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -0.0534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.7404 -1.3581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.3241 -0.5534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.5534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -1.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.5534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 -1.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7404 0.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0511 1.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3833 1.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0296 1.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6939 2.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3403 2.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6724 3.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8501 0.5292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4516 -0.1611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3267 0.9215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5297 0.9215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5297 -2.0284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3267 -2.0284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7287 -0.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9316 -0.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.8634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 -0.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 -0.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.8634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 -2.8634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7766 1.8183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4437 0.9466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.8634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.2434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2799 3.3581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9470 2.4864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.8634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0 0 0 0
2 25 1 0 0 0 0
3 30 1 0 0 0 0
4 16 2 0 0 0 0
5 10 1 0 0 0 0
5 12 1 0 0 0 0
5 16 1 0 0 0 0
6 11 1 0 0 0 0
6 13 1 0 0 0 0
6 17 1 0 0 0 0
7 8 1 0 0 0 0
7 13 2 0 0 0 0
8 17 2 0 0 0 0
15 9 1 6 0 0 0
9 42 1 0 0 0 0
9 43 1 0 0 0 0
10 11 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
11 33 1 0 0 0 0
11 34 1 0 0 0 0
12 13 1 0 0 0 0
12 35 1 0 0 0 0
12 36 1 0 0 0 0
14 15 1 0 0 0 0
14 16 1 0 0 0 0
14 37 1 0 0 0 0
14 38 1 0 0 0 0
15 18 1 0 0 0 0
15 39 1 0 0 0 0
17 19 1 0 0 0 0
18 20 1 0 0 0 0
18 40 1 0 0 0 0
18 41 1 0 0 0 0
19 21 2 0 0 0 0
19 22 1 0 0 0 0
20 23 2 0 0 0 0
20 24 1 0 0 0 0
21 27 1 0 0 0 0
21 44 1 0 0 0 0
22 28 2 0 0 0 0
22 45 1 0 0 0 0
23 26 1 0 0 0 0
24 25 2 0 0 0 0
24 46 1 0 0 0 0
25 29 1 0 0 0 0
26 29 2 0 0 0 0
26 47 1 0 0 0 0
27 30 2 0 0 0 0
27 48 1 0 0 0 0
28 30 1 0 0 0 0
28 49 1 0 0 0 0
29 50 1 0 0 0 0
M END
$$$$