BTBU54
-OEChem-04012115042D
35 37 0 1 0 0 0 0 0999 V2000
2.5381 1.8912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9343 1.3671 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
6.0682 -0.1329 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
8.8830 -1.3354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9343 0.3671 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.0682 1.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2022 0.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2022 1.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8003 -0.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8003 1.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0682 -1.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3083 -0.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3083 1.9018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9048 -1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7139 0.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4022 1.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4022 0.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3830 -0.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9343 -0.2529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4668 2.3420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6697 2.3420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1103 1.3302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3372 2.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4903 2.4040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4482 -1.1329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0682 -1.7529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6882 -1.1329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3154 -0.7875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3154 2.5217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4441 -1.5423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8428 0.8803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8665 0.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1352 -1.9018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9996 -0.4045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.5833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0 0 0 0
1 35 1 0 0 0 0
2 5 1 0 0 0 0
2 6 1 0 0 0 0
2 10 1 0 0 0 0
3 5 1 0 0 0 0
3 7 1 0 0 0 0
3 11 1 0 0 0 0
4 14 1 0 0 0 0
4 18 1 0 0 0 0
4 33 1 0 0 0 0
5 9 1 0 0 0 0
5 19 1 0 0 0 0
6 8 1 0 0 0 0
6 20 1 0 0 0 0
6 21 1 0 0 0 0
7 8 2 0 0 0 0
7 12 1 0 0 0 0
8 13 1 0 0 0 0
9 14 2 0 0 0 0
9 15 1 0 0 0 0
10 22 1 0 0 0 0
10 23 1 0 0 0 0
10 24 1 0 0 0 0
11 25 1 0 0 0 0
11 26 1 0 0 0 0
11 27 1 0 0 0 0
12 17 2 0 0 0 0
12 28 1 0 0 0 0
13 16 2 0 0 0 0
13 29 1 0 0 0 0
14 30 1 0 0 0 0
15 18 2 0 0 0 0
15 31 1 0 0 0 0
16 17 1 0 0 0 0
17 32 1 0 0 0 0
18 34 1 0 0 0 0
M END
$$$$