B7YRE5
-OEChem-04022101292D
31 32 0 1 0 0 0 0 0999 V2000
4.9527 2.6886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1283 2.6886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0405 0.3407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0725 -0.3587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9136 -1.6458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0827 -3.2550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2315 0.9285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5405 1.8796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.5405 1.8796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.8495 0.9285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2804 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 -0.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -2.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1045 -3.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1345 0.3161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9281 1.7826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2590 2.4320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1595 0.3916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4159 1.1807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0405 -0.2793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1941 1.2335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6608 0.6411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5333 -0.7735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2049 3.2550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7449 2.6238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0352 -0.0537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5018 -0.6460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.7426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1993 -2.3242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6438 -3.4619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8 1 1 1 0 0 0
1 25 1 0 0 0 0
9 2 1 1 0 0 0
2 26 1 0 0 0 0
3 7 1 0 0 0 0
3 10 1 0 0 0 0
3 21 1 0 0 0 0
4 11 1 0 0 0 0
4 12 1 0 0 0 0
4 24 1 0 0 0 0
5 12 1 0 0 0 0
5 13 1 0 0 0 0
5 14 1 0 0 0 0
6 14 2 0 0 0 0
6 15 1 0 0 0 0
7 8 1 0 0 0 0
7 11 1 6 0 0 0
7 16 1 0 0 0 0
8 9 1 0 0 0 0
8 17 1 0 0 0 0
9 10 1 0 0 0 0
9 18 1 0 0 0 0
10 19 1 0 0 0 0
10 20 1 0 0 0 0
11 22 1 0 0 0 0
11 23 1 0 0 0 0
12 27 1 0 0 0 0
12 28 1 0 0 0 0
13 15 2 0 0 0 0
13 29 1 0 0 0 0
14 30 1 0 0 0 0
15 31 1 0 0 0 0
M END
$$$$