B9VTY3
-OEChem-04012116172D
43 47 0 1 0 0 0 0 0999 V2000
8.2146 -3.7246 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.1794 0.6034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5472 0.6645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0946 -2.7353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9782 -0.2020 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
5.8966 -1.1503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7872 0.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5962 -0.2020 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.2872 -1.1531 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.2872 -1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5903 -0.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9782 0.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5962 0.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0929 -1.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2872 1.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2872 1.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8477 -1.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7525 2.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8218 2.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2664 3.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3080 3.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0556 -2.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5908 -0.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0066 -2.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5419 -1.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7498 -2.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7885 0.3874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0963 -1.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6807 -1.2820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3520 -1.7697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8711 0.1965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3936 -0.5388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1289 -1.0164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1325 2.8114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4418 2.8114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9543 4.2604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6200 4.2604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5948 -2.8523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4619 -0.1837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0026 -0.6843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3394 -2.2689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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3 13 2 0 0 0 0
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9 29 1 0 0 0 0
10 11 1 0 0 0 0
10 15 1 0 0 0 0
10 30 1 0 0 0 0
11 31 1 0 0 0 0
11 32 1 0 0 0 0
13 16 1 0 0 0 0
14 17 1 0 0 0 0
16 17 1 0 0 0 0
16 20 2 0 0 0 0
17 21 2 0 0 0 0
18 33 1 0 0 0 0
18 34 1 0 0 0 0
18 35 1 0 0 0 0
19 24 2 0 0 0 0
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20 22 1 0 0 0 0
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21 23 1 0 0 0 0
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22 23 2 0 0 0 0
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26 28 2 0 0 0 0
27 28 1 0 0 0 0
27 42 1 0 0 0 0
28 43 1 0 0 0 0
M END
$$$$