BS3G1O
-OEChem-04022110362D
37 40 0 1 0 0 0 0 0999 V2000
7.0555 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5998 -1.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8490 0.7743 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1895 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9216 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3490 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3235 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.9010 -1.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0647 1.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8073 -1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 1.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0555 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9216 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7876 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6536 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6536 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7876 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5998 0.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1834 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8980 -0.5171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8154 0.8774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3294 -1.7210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1521 -2.0478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4543 0.8320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7217 -0.0163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6477 1.6767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8050 2.0289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0778 -1.6162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3610 -0.7794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7783 1.9578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9543 1.6980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1895 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7876 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7876 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7924 0.8941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8034 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 2 0 0 0 0
2 17 1 0 0 0 0
2 20 1 0 0 0 0
3 10 1 0 0 0 0
3 11 1 0 0 0 0
3 12 1 0 0 0 0
7 4 1 6 0 0 0
4 13 1 0 0 0 0
4 33 1 0 0 0 0
5 14 2 0 0 0 0
5 18 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 9 1 0 0 0 0
6 21 1 0 0 0 0
7 10 1 0 0 0 0
7 22 1 0 0 0 0
8 11 1 0 0 0 0
8 23 1 0 0 0 0
8 24 1 0 0 0 0
9 12 1 0 0 0 0
9 25 1 0 0 0 0
9 26 1 0 0 0 0
10 27 1 0 0 0 0
10 28 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
15 34 1 0 0 0 0
16 17 1 0 0 0 0
16 19 1 0 0 0 0
17 18 2 0 0 0 0
18 35 1 0 0 0 0
19 20 2 0 0 0 0
19 36 1 0 0 0 0
20 37 1 0 0 0 0
M END
$$$$