BB8AO6
-OEChem-04012118032D
59 61 0 1 0 0 0 0 0999 V2000
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7.6208 -4.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4427 -2.9943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5000 -0.5105 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9088 -1.6340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5000 -0.5105 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.9339 0.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9088 0.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 0.3556 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.9339 -1.4114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6906 -0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6906 -1.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5000 1.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 2.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1313 -2.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 0.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5846 0.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5846 -1.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5000 2.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4907 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4907 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3983 -3.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 3.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5000 2.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 1.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5000 4.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0000 3.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5000 4.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1701 0.0145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9339 1.0105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3294 0.5285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3936 0.9996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6398 1.1716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6900 -0.1814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1900 -1.0474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9750 0.8231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9750 1.6201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5250 2.4861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5250 1.6891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4677 -3.1297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7026 -2.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5774 1.1442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5774 -2.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0264 0.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0264 -1.3434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3800 3.8197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8100 2.4167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9174 1.0095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6077 0.6110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1900 5.2226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6200 3.8197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8100 5.2226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 2.3976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 2.6246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.7776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1663 -4.6857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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31 58 1 0 0 0 0
M END
$$$$