B76IRJ
-OEChem-04022105562D
31 33 0 0 0 0 0 0 0999 V2000
5.7490 -1.8453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8830 -0.3453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9820 0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7840 0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7595 1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0065 1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3830 1.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3830 1.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2295 -0.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5365 -0.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8830 -1.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7690 1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9970 1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2318 -0.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5342 -0.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7660 0.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0170 -1.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1140 2.4039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6520 2.4039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3744 -1.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3916 -1.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6380 1.9918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1280 1.9918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7789 -0.7557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9871 -0.7557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4083 0.8683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3578 0.8682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7070 -1.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4800 -2.1553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3270 -2.3822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 2 0 0 0 0
2 3 1 0 0 0 0
2 4 1 0 0 0 0
2 11 1 0 0 0 0
3 5 1 0 0 0 0
3 9 2 0 0 0 0
4 6 1 0 0 0 0
4 10 2 0 0 0 0
5 7 1 0 0 0 0
5 12 2 0 0 0 0
6 8 1 0 0 0 0
6 13 2 0 0 0 0
7 8 2 0 0 0 0
7 19 1 0 0 0 0
8 20 1 0 0 0 0
9 14 1 0 0 0 0
9 21 1 0 0 0 0
10 15 1 0 0 0 0
10 22 1 0 0 0 0
11 18 1 0 0 0 0
12 16 1 0 0 0 0
12 23 1 0 0 0 0
13 17 1 0 0 0 0
13 24 1 0 0 0 0
14 16 2 0 0 0 0
14 25 1 0 0 0 0
15 17 2 0 0 0 0
15 26 1 0 0 0 0
16 27 1 0 0 0 0
17 28 1 0 0 0 0
18 29 1 0 0 0 0
18 30 1 0 0 0 0
18 31 1 0 0 0 0
M END
$$$$