B2LR1U
-OEChem-04022110132D
34 36 0 0 0 0 0 0 0999 V2000
4.6660 -1.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 1.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 -1.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 0.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -0.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5942 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5942 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 0.9220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 -2.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0690 -1.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 0.1002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -1.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 0.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 -0.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3252 1.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1312 -0.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 2.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 0.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1312 1.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
1 12 1 0 0 0 0
2 8 2 0 0 0 0
3 19 2 0 0 0 0
4 5 1 0 0 0 0
4 19 1 0 0 0 0
4 33 1 0 0 0 0
5 15 2 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 10 2 0 0 0 0
7 11 2 0 0 0 0
8 9 1 0 0 0 0
9 12 2 0 0 0 0
9 15 1 0 0 0 0
10 13 1 0 0 0 0
10 23 1 0 0 0 0
11 14 1 0 0 0 0
11 24 1 0 0 0 0
12 25 1 0 0 0 0
13 14 2 0 0 0 0
13 26 1 0 0 0 0
14 27 1 0 0 0 0
15 28 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
16 19 1 0 0 0 0
17 20 1 0 0 0 0
17 29 1 0 0 0 0
18 21 2 0 0 0 0
18 30 1 0 0 0 0
20 22 2 0 0 0 0
20 31 1 0 0 0 0
21 22 1 0 0 0 0
21 32 1 0 0 0 0
22 34 1 0 0 0 0
M END
$$$$