BBS7K3
-OEChem-04022105152D
35 36 0 0 0 0 0 0 0999 V2000
7.9939 0.2360 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.2360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 1.0407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 -0.5687 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 -0.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4939 -0.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4939 -0.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 -1.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 0.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9939 0.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9113 -0.8421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6016 -1.2406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4939 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1139 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4939 -0.0100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8739 -1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1139 -1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1139 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 0.9900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8739 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6029 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.8560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.3840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -0.5740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 1.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 0.1990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 10 1 0 0 0 0
2 15 1 0 0 0 0
2 17 1 0 0 0 0
3 10 1 0 0 0 0
3 11 1 0 0 0 0
3 29 1 0 0 0 0
4 10 2 0 0 0 0
4 12 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 8 1 0 0 0 0
5 9 1 0 0 0 0
6 18 1 0 0 0 0
6 19 1 0 0 0 0
7 20 1 0 0 0 0
7 21 1 0 0 0 0
7 22 1 0 0 0 0
8 23 1 0 0 0 0
8 24 1 0 0 0 0
8 25 1 0 0 0 0
9 26 1 0 0 0 0
9 27 1 0 0 0 0
9 28 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
12 14 1 0 0 0 0
13 15 2 0 0 0 0
13 30 1 0 0 0 0
14 16 2 0 0 0 0
14 31 1 0 0 0 0
15 16 1 0 0 0 0
16 32 1 0 0 0 0
17 33 1 0 0 0 0
17 34 1 0 0 0 0
17 35 1 0 0 0 0
M END
$$$$