BCT32M
-OEChem-04012116032D
28 30 0 0 0 0 0 0 0999 V2000
3.4945 2.0428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1642 -1.9149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8536 -0.9644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6636 0.4336 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.4372 -0.1597 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4727 1.8349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 0.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 0.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 0.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9073 0.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0413 0.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9073 -0.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 -0.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0413 -1.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5772 0.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8536 0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 1.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7078 1.3153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9107 1.3153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0447 -0.1346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8418 -0.1346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0413 1.4603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6383 -0.9697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0413 -1.7797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0462 1.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5348 -0.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7709 -2.0428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
1 18 1 0 0 0 0
2 4 1 0 0 0 0
2 28 1 0 0 0 0
3 18 2 0 0 0 0
4 6 1 0 0 0 0
4 13 1 0 0 0 0
5 16 1 0 0 0 0
5 18 1 0 0 0 0
5 27 1 0 0 0 0
6 17 2 0 0 0 0
7 16 2 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 19 1 0 0 0 0
8 20 1 0 0 0 0
9 12 2 0 0 0 0
9 14 1 0 0 0 0
10 16 1 0 0 0 0
10 21 1 0 0 0 0
10 22 1 0 0 0 0
11 12 1 0 0 0 0
11 13 2 0 0 0 0
11 17 1 0 0 0 0
12 23 1 0 0 0 0
13 15 1 0 0 0 0
14 15 2 0 0 0 0
14 24 1 0 0 0 0
15 25 1 0 0 0 0
17 26 1 0 0 0 0
M END
$$$$