BABX61
-OEChem-04022110402D
28 29 0 1 0 0 0 0 0999 V2000
8.6301 -0.3560 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 -1.7220 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.6301 -2.0880 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -1.2220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8680 0.8022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 1.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 0.2780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -0.7220 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.2641 0.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5320 0.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5320 -0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 0.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 -1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6381 0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6381 -1.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 0.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -1.3420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 1.3980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 1.4326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 -1.8766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1963 -1.0549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6671 2.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6921 0.8436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4619 -0.0024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3079 -0.2326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
2 13 1 0 0 0 0
3 13 1 0 0 0 0
4 8 1 0 0 0 0
4 11 1 0 0 0 0
5 16 1 0 0 0 0
5 19 1 0 0 0 0
6 18 1 0 0 0 0
6 25 1 0 0 0 0
7 18 2 0 0 0 0
8 9 1 0 0 0 0
8 13 1 0 0 0 0
8 20 1 0 0 0 0
9 12 2 0 0 0 0
9 18 1 0 0 0 0
10 11 2 0 0 0 0
10 12 1 0 0 0 0
10 14 1 0 0 0 0
11 15 1 0 0 0 0
12 21 1 0 0 0 0
14 16 2 0 0 0 0
14 22 1 0 0 0 0
15 17 2 0 0 0 0
15 23 1 0 0 0 0
16 17 1 0 0 0 0
17 24 1 0 0 0 0
19 26 1 0 0 0 0
19 27 1 0 0 0 0
19 28 1 0 0 0 0
M END
$$$$