D0MC3K
-OEChem-10101305032D
27 29 0 0 0 0 0 0 0999 V2000
5.1998 1.2902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1623 2.9663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8417 -2.7120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6768 2.1891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9703 0.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8908 0.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1304 0.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6998 -0.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1998 1.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5088 0.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6540 2.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7927 -1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4668 -0.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7410 -1.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5837 -1.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5396 -0.4453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3088 -0.5187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5130 0.5642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9369 -0.0819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6582 1.9966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4194 1.2617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4574 2.7690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2870 -1.6447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9642 0.3004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1511 -1.3548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4071 -2.9663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 11 1 0 0 0 0
2 12 2 0 0 0 0
3 15 1 0 0 0 0
3 27 1 0 0 0 0
4 10 1 0 0 0 0
4 12 1 0 0 0 0
4 23 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 17 1 0 0 0 0
5 18 1 0 0 0 0
6 8 1 0 0 0 0
6 9 2 0 0 0 0
7 10 1 0 0 0 0
7 19 1 0 0 0 0
7 20 1 0 0 0 0
8 11 2 0 0 0 0
8 13 1 0 0 0 0
9 12 1 0 0 0 0
10 21 1 0 0 0 0
10 22 1 0 0 0 0
11 14 1 0 0 0 0
13 15 2 0 0 0 0
13 24 1 0 0 0 0
14 16 2 0 0 0 0
14 25 1 0 0 0 0
15 16 1 0 0 0 0
16 26 1 0 0 0 0
M END
$$$$