BXE0A5
-OEChem-04012115552D
43 44 0 0 0 0 0 0 0999 V2000
8.3347 0.2991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5659 2.8307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 2.5171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.7524 1.0036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1537 2.0217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0257 -0.6519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6437 -0.6519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1701 1.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 2.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9890 3.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1646 1.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 4.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7469 1.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3347 0.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8347 -2.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8347 -1.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9687 -2.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7007 -2.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9687 -3.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7007 -3.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8347 -4.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6128 1.4363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3410 1.1121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0305 2.1408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7587 1.8166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5030 3.0840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4197 3.8767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7219 2.0844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9937 2.4086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5016 3.5860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6356 3.7232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 2.8572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9028 4.6041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0368 4.7413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8997 3.8753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7703 2.0865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4318 -2.4297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2377 -2.4297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4318 -4.0497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2377 -4.0497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8347 -4.8597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8180 3.3971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
1 15 1 0 0 0 0
2 5 1 0 0 0 0
2 43 1 0 0 0 0
3 8 1 0 0 0 0
3 9 1 0 0 0 0
3 10 1 0 0 0 0
4 11 1 0 0 0 0
4 14 2 0 0 0 0
5 14 1 0 0 0 0
5 37 1 0 0 0 0
6 15 2 0 0 0 0
6 17 1 0 0 0 0
7 17 2 0 0 0 0
8 11 1 0 0 0 0
8 23 1 0 0 0 0
8 24 1 0 0 0 0
9 12 1 0 0 0 0
9 25 1 0 0 0 0
9 26 1 0 0 0 0
10 13 1 0 0 0 0
10 27 1 0 0 0 0
10 28 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
12 33 1 0 0 0 0
13 34 1 0 0 0 0
13 35 1 0 0 0 0
13 36 1 0 0 0 0
14 15 1 0 0 0 0
16 17 1 0 0 0 0
16 18 2 0 0 0 0
16 19 1 0 0 0 0
18 20 1 0 0 0 0
18 38 1 0 0 0 0
19 21 2 0 0 0 0
19 39 1 0 0 0 0
20 22 2 0 0 0 0
20 40 1 0 0 0 0
21 22 1 0 0 0 0
21 41 1 0 0 0 0
22 42 1 0 0 0 0
M END
$$$$