B01XVZ
-OEChem-04012119032D
31 33 0 1 0 0 0 0 0999 V2000
7.9930 -0.1953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9930 -1.8047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -0.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 -1.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -1.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.3147 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5766 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9791 0.4437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1675 0.2712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5430 -2.1111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0982 -1.4945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 -0.3757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 -1.2008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 -1.9546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6916 -2.2921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9118 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0375 -1.4147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0375 -0.5853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0 0 0 0
1 17 1 0 0 0 0
2 15 1 0 0 0 0
2 17 1 0 0 0 0
3 5 1 0 0 0 0
3 6 1 0 0 0 0
3 9 1 0 0 0 0
4 13 3 0 0 0 0
5 7 1 0 0 0 0
5 18 1 0 0 0 0
5 19 1 0 0 0 0
6 8 1 0 0 0 0
6 20 1 0 0 0 0
6 21 1 0 0 0 0
7 8 1 0 0 0 0
7 22 1 0 0 0 0
7 23 1 0 0 0 0
8 24 1 0 0 0 0
8 25 1 0 0 0 0
9 10 1 0 0 0 0
9 13 1 0 0 0 0
9 26 1 0 0 0 0
10 11 2 0 0 0 0
10 12 1 0 0 0 0
11 14 1 0 0 0 0
11 27 1 0 0 0 0
12 16 2 0 0 0 0
12 28 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 29 1 0 0 0 0
17 30 1 0 0 0 0
17 31 1 0 0 0 0
M END
$$$$