BQRY78
-OEChem-04022101532D
28 28 0 1 0 0 0 0 0999 V2000
3.4311 -1.7504 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0
4.3321 -1.3165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9972 -2.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8650 -2.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8016 2.1675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3076 -0.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5301 -1.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9311 0.4403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9311 0.4403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5546 -0.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3650 1.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5295 -0.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9210 0.1432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7490 -0.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9101 -1.3165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3922 -1.9210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0690 1.0447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3725 0.7093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8684 0.9793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8088 1.7741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6675 -0.7235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1340 0.0189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3915 0.4854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9537 -2.1078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3817 -2.7724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0463 -3.3443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0707 2.7261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
1 4 2 0 0 0 0
1 7 1 0 0 0 0
2 10 1 0 0 0 0
3 13 1 0 0 0 0
5 11 1 0 0 0 0
5 28 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 14 1 0 0 0 0
6 15 1 0 0 0 0
7 16 1 0 0 0 0
7 17 1 0 0 0 0
8 9 1 0 0 0 0
8 18 1 0 0 0 0
8 19 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
10 12 1 0 0 0 0
11 20 1 0 0 0 0
11 21 1 0 0 0 0
12 22 1 0 0 0 0
12 23 1 0 0 0 0
12 24 1 0 0 0 0
13 25 1 0 0 0 0
13 26 1 0 0 0 0
13 27 1 0 0 0 0
M END
$$$$