BP8K9Z
-OEChem-04012115482D
27 29 0 0 0 0 0 0 0999 V2000
8.7202 2.0826 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.3198 1.5720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5762 0.5243 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
8.6929 -0.9656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4022 0.0583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3083 -1.4972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7045 0.0343 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
2.5381 -1.4867 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0682 0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2022 0.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9343 0.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2022 -0.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8443 0.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9343 -0.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0522 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0682 -1.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3083 0.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8523 1.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9502 2.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4022 -0.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4712 -1.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5117 1.8827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0682 -2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9478 2.7267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8665 0.3703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5405 -2.1067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.1788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 18 1 0 0 0 0
2 17 2 0 0 0 0
3 7 1 0 0 0 0
4 7 2 0 0 0 0
5 17 1 0 0 0 0
5 20 1 0 0 0 0
5 25 1 0 0 0 0
6 12 1 0 0 0 0
6 20 2 0 0 0 0
7 13 1 0 0 0 0
8 20 1 0 0 0 0
8 26 1 0 0 0 0
8 27 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
9 15 1 0 0 0 0
10 12 2 0 0 0 0
10 17 1 0 0 0 0
11 13 1 0 0 0 0
11 14 1 0 0 0 0
12 16 1 0 0 0 0
13 18 2 0 0 0 0
14 16 2 0 0 0 0
14 21 1 0 0 0 0
15 19 2 0 0 0 0
15 22 1 0 0 0 0
16 23 1 0 0 0 0
18 19 1 0 0 0 0
19 24 1 0 0 0 0
M CHG 2 3 -1 7 1
M END
$$$$