B3XMH0
-OEChem-04012115472D
33 34 0 0 0 0 0 0 0999 V2000
5.3147 -1.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 3.3512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -3.1488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -4.3512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 3.3512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -2.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -2.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 -4.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 2.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 4.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6608 -3.2314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0593 -2.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2366 -1.0662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8381 -1.7564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5402 -2.1356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9389 -4.5582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7177 0.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9118 0.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7177 1.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9118 1.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 -3.4204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7177 3.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8008 4.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 4.9712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5608 4.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
1 8 1 0 0 0 0
2 17 2 0 0 0 0
3 6 1 0 0 0 0
3 9 1 0 0 0 0
3 11 1 0 0 0 0
4 11 2 0 0 0 0
4 16 1 0 0 0 0
5 17 1 0 0 0 0
5 18 1 0 0 0 0
5 30 1 0 0 0 0
6 7 1 0 0 0 0
6 19 1 0 0 0 0
6 20 1 0 0 0 0
7 21 1 0 0 0 0
7 22 1 0 0 0 0
8 12 2 0 0 0 0
8 13 1 0 0 0 0
9 16 2 0 0 0 0
9 23 1 0 0 0 0
10 14 2 0 0 0 0
10 15 1 0 0 0 0
10 17 1 0 0 0 0
11 24 1 0 0 0 0
12 14 1 0 0 0 0
12 25 1 0 0 0 0
13 15 2 0 0 0 0
13 26 1 0 0 0 0
14 27 1 0 0 0 0
15 28 1 0 0 0 0
16 29 1 0 0 0 0
18 31 1 0 0 0 0
18 32 1 0 0 0 0
18 33 1 0 0 0 0
M END
$$$$