B2BTZ5
-OEChem-04022105252D
40 42 0 1 0 0 0 0 0999 V2000
8.6658 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6658 -1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3979 -2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2639 -0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.9960 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.9960 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5357 -0.9392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4075 -2.4358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5319 0.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.5319 -0.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.3979 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7998 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7998 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3979 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2639 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3979 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9059 -1.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9059 0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9998 -0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9998 0.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1299 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2639 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1299 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1357 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2678 -0.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4037 -1.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0688 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5319 -1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2639 -0.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8610 1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9130 -2.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9130 1.2496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.4279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2639 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1381 -2.0492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9348 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5329 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9960 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2654 -0.3125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 12 1 0 0 0 0
2 10 1 0 0 0 0
2 13 1 0 0 0 0
3 14 1 0 0 0 0
3 36 1 0 0 0 0
4 14 2 0 0 0 0
5 21 1 0 0 0 0
5 37 1 0 0 0 0
6 23 1 0 0 0 0
6 38 1 0 0 0 0
7 26 1 0 0 0 0
7 40 1 0 0 0 0
8 26 2 0 0 0 0
9 10 1 0 0 0 0
9 11 1 6 0 0 0
9 27 1 0 0 0 0
10 14 1 6 0 0 0
10 28 1 0 0 0 0
11 15 2 0 0 0 0
11 16 1 0 0 0 0
12 13 2 0 0 0 0
12 18 1 0 0 0 0
13 17 1 0 0 0 0
15 21 1 0 0 0 0
15 29 1 0 0 0 0
16 22 2 0 0 0 0
16 30 1 0 0 0 0
17 19 2 0 0 0 0
17 31 1 0 0 0 0
18 20 2 0 0 0 0
18 32 1 0 0 0 0
19 20 1 0 0 0 0
19 24 1 0 0 0 0
20 33 1 0 0 0 0
21 23 2 0 0 0 0
22 23 1 0 0 0 0
22 34 1 0 0 0 0
24 25 2 0 0 0 0
24 35 1 0 0 0 0
25 26 1 0 0 0 0
25 39 1 0 0 0 0
M END
$$$$