BCJ61T
-OEChem-04022105072D
50 51 0 1 0 0 0 0 0999 V2000
8.7788 -4.9330 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0
7.9128 4.5670 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.5468 4.9330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.5468 3.2010 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.4612 0.4519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 -3.9330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
7.0468 -3.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 3.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -0.9330 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.4782 -1.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -2.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -0.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 -2.4330 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.3147 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 4.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1026 -1.2707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5430 -2.5441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0982 -1.9275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 -2.3876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6916 -2.7251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8472 0.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0502 0.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 -0.8087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 -1.6338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 -2.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5837 -0.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -3.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 -1.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 0.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5837 0.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0888 -2.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3158 -1.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4688 -1.3961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 2.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5837 2.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 30 1 0 0 0 0
3 30 1 0 0 0 0
4 30 1 0 0 0 0
5 14 2 0 0 0 0
6 26 1 0 0 0 0
7 26 2 0 0 0 0
8 29 1 0 0 0 0
8 30 1 0 0 0 0
9 10 1 0 0 0 0
9 12 1 0 0 0 0
9 14 1 0 0 0 0
9 31 1 0 0 0 0
10 11 1 0 0 0 0
10 32 1 0 0 0 0
10 33 1 0 0 0 0
11 13 1 0 0 0 0
11 34 1 0 0 0 0
11 35 1 0 0 0 0
12 15 1 0 0 0 0
12 36 1 0 0 0 0
12 37 1 0 0 0 0
13 14 1 0 0 0 0
13 38 1 0 0 0 0
13 39 1 0 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
16 19 1 0 0 0 0
16 21 1 0 0 0 0
17 20 2 0 0 0 0
17 40 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
18 22 1 0 0 0 0
19 41 1 0 0 0 0
20 42 1 0 0 0 0
21 23 2 0 0 0 0
21 24 1 0 0 0 0
22 25 1 0 0 0 0
22 26 1 0 0 0 0
22 43 1 0 0 0 0
23 27 1 0 0 0 0
23 44 1 0 0 0 0
24 28 2 0 0 0 0
24 45 1 0 0 0 0
25 46 1 0 0 0 0
25 47 1 0 0 0 0
25 48 1 0 0 0 0
27 29 2 0 0 0 0
27 49 1 0 0 0 0
28 29 1 0 0 0 0
28 50 1 0 0 0 0
M CHG 2 1 1 6 -1
M END
$$$$