BAU0G2
-OEChem-04022106482D
44 45 0 1 0 0 0 0 0999 V2000
6.5856 1.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0413 2.7772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.9547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5686 3.5398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.4547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.5453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3776 2.1386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.0468 2.8817 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.5468 3.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9441 2.8830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8958 1.7484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2690 2.3029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1132 3.9999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3552 4.3374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1079 3.9547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3860 2.6279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9875 1.9376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.7353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1752 0.9688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4057 3.2788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 1.1279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 0.4376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -0.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -1.0623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7741 -0.9916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.1447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1541 0.0822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.1447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.1447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.7647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.7647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.5747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8 1 1 6 0 0 0
1 31 1 0 0 0 0
9 2 1 6 0 0 0
2 32 1 0 0 0 0
3 14 2 0 0 0 0
4 7 1 0 0 0 0
4 10 1 0 0 0 0
4 27 1 0 0 0 0
5 11 1 0 0 0 0
5 12 1 0 0 0 0
5 30 1 0 0 0 0
6 12 1 0 0 0 0
6 13 1 0 0 0 0
6 14 1 0 0 0 0
7 8 1 0 0 0 0
7 11 1 1 0 0 0
7 22 1 0 0 0 0
8 9 1 0 0 0 0
8 23 1 0 0 0 0
9 10 1 0 0 0 0
9 24 1 0 0 0 0
10 25 1 0 0 0 0
10 26 1 0 0 0 0
11 28 1 0 0 0 0
11 29 1 0 0 0 0
12 33 1 0 0 0 0
12 34 1 0 0 0 0
13 15 1 0 0 0 0
13 35 1 0 0 0 0
13 36 1 0 0 0 0
14 16 1 0 0 0 0
15 17 2 0 0 0 0
15 18 1 0 0 0 0
16 37 1 0 0 0 0
16 38 1 0 0 0 0
16 39 1 0 0 0 0
17 19 1 0 0 0 0
17 40 1 0 0 0 0
18 20 2 0 0 0 0
18 41 1 0 0 0 0
19 21 2 0 0 0 0
19 42 1 0 0 0 0
20 21 1 0 0 0 0
20 43 1 0 0 0 0
21 44 1 0 0 0 0
M END
$$$$