BXL6W0
-OEChem-04012116382D
40 44 0 1 0 0 0 0 0999 V2000
3.4030 2.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8705 -1.2495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8705 -2.8590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.1859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3329 1.9802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3922 -1.5334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3098 -0.0196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.2982 -1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4496 0.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1922 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1922 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1816 0.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4612 1.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0582 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5779 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6010 2.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9242 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0582 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9242 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7292 1.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2982 -3.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7177 0.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3922 -2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4156 3.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4541 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8431 -0.3358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4853 -0.0702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7220 0.7741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8778 1.0108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0582 -0.4342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5707 -0.6196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0582 -3.6742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1772 0.2066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3054 -3.7089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8564 -2.8871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5513 3.6939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8282 3.2875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9149 -2.4690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9149 -1.6395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3401 2.6002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0 0 0 0
1 24 1 0 0 0 0
2 17 1 0 0 0 0
2 25 1 0 0 0 0
3 19 1 0 0 0 0
3 25 1 0 0 0 0
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4 24 1 0 0 0 0
5 13 1 0 0 0 0
5 40 1 0 0 0 0
6 8 2 0 0 0 0
6 23 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 12 1 1 0 0 0
7 26 1 0 0 0 0
8 10 1 0 0 0 0
9 13 2 0 0 0 0
9 15 1 0 0 0 0
10 11 1 0 0 0 0
10 14 2 0 0 0 0
11 18 2 0 0 0 0
11 21 1 0 0 0 0
12 27 1 0 0 0 0
12 28 1 0 0 0 0
12 29 1 0 0 0 0
13 16 1 0 0 0 0
14 17 1 0 0 0 0
14 30 1 0 0 0 0
15 22 2 0 0 0 0
15 31 1 0 0 0 0
16 20 2 0 0 0 0
17 19 2 0 0 0 0
18 19 1 0 0 0 0
18 32 1 0 0 0 0
20 22 1 0 0 0 0
21 23 2 0 0 0 0
21 34 1 0 0 0 0
22 33 1 0 0 0 0
23 35 1 0 0 0 0
24 36 1 0 0 0 0
24 37 1 0 0 0 0
25 38 1 0 0 0 0
25 39 1 0 0 0 0
M END
$$$$