B4S2RG
-OEChem-04022109072D
32 33 0 0 0 0 0 0 0999 V2000
6.3981 -2.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8680 -2.2568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 -2.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 1.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5320 -0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5320 -1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6381 -0.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6381 -2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1860 1.3499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7875 0.6597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8010 -0.4227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 0.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 -2.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1963 -0.3998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8841 2.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 2.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6441 2.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8201 0.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6671 0.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4401 1.3043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3079 -1.2220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4619 -1.4522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6921 -2.2983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0 0 0 0
1 16 1 0 0 0 0
2 12 1 0 0 0 0
2 17 1 0 0 0 0
3 16 2 0 0 0 0
4 6 1 0 0 0 0
4 14 1 0 0 0 0
4 15 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 9 2 0 0 0 0
6 18 1 0 0 0 0
6 19 1 0 0 0 0
7 8 2 0 0 0 0
7 10 1 0 0 0 0
8 11 1 0 0 0 0
9 16 1 0 0 0 0
9 20 1 0 0 0 0
10 13 2 0 0 0 0
10 21 1 0 0 0 0
11 12 2 0 0 0 0
11 22 1 0 0 0 0
12 13 1 0 0 0 0
13 23 1 0 0 0 0
14 24 1 0 0 0 0
14 25 1 0 0 0 0
14 26 1 0 0 0 0
15 27 1 0 0 0 0
15 28 1 0 0 0 0
15 29 1 0 0 0 0
17 30 1 0 0 0 0
17 31 1 0 0 0 0
17 32 1 0 0 0 0
M END
$$$$