BBAD28
-OEChem-04022106542D
28 28 0 1 0 0 0 0 0999 V2000
4.6288 1.9798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8044 1.9798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5896 -2.3546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7166 -0.3681 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7486 -1.0674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9076 0.2197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.2166 1.1708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.2166 1.1708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.5256 0.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9565 -0.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7976 -1.3765 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0544 -0.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8106 -0.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4981 1.7232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8290 1.0738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8356 -0.3172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0920 0.4719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7166 -0.9881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8702 0.5247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3369 -0.0677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2094 -1.4823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8810 2.5462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4210 1.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2079 -1.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4693 -0.2466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5937 -0.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6396 -1.1681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.5462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7 1 1 1 0 0 0
1 22 1 0 0 0 0
8 2 1 1 0 0 0
2 23 1 0 0 0 0
11 3 1 1 0 0 0
3 28 1 0 0 0 0
4 6 1 0 0 0 0
4 9 1 0 0 0 0
4 18 1 0 0 0 0
5 10 1 0 0 0 0
5 11 1 0 0 0 0
5 21 1 0 0 0 0
6 7 1 0 0 0 0
6 10 1 6 0 0 0
6 13 1 0 0 0 0
7 8 1 0 0 0 0
7 14 1 0 0 0 0
8 9 1 0 0 0 0
8 15 1 0 0 0 0
9 16 1 0 0 0 0
9 17 1 0 0 0 0
10 19 1 0 0 0 0
10 20 1 0 0 0 0
11 12 1 0 0 0 0
11 24 1 0 0 0 0
12 25 1 0 0 0 0
12 26 1 0 0 0 0
12 27 1 0 0 0 0
M END
$$$$