BF81CI
-OEChem-04022101332D
57 59 0 1 0 0 0 0 0999 V2000
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10.2278 9.8242 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
10.8677 8.5630 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.9666 9.1844 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 7.6184 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 3.6184 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 4.6184 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.0622 5.1184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9282 6.6184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6602 7.6184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6065 6.3137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.1901 7.1184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3301 5.1184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6602 3.6184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 6.1184 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.9282 7.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6602 6.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 8.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 5.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0622 6.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 6.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6065 7.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3301 6.1184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.6602 4.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4641 6.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9171 8.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 6.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5263 5.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3923 4.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 6.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 5.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5263 3.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3923 3.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 4.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 6.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 5.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2573 5.8084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7162 8.2010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3176 7.5108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1928 8.5934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3957 8.5934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1836 5.2261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5822 4.5358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5947 7.0934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7976 7.0934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7932 5.8084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8626 7.0934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0656 7.0934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7932 4.8084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8671 4.8084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5263 5.7384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9292 4.9284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1350 4.8084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5263 2.4984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9292 3.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3291 6.4284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9646 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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3 26 1 0 0 0 0
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29 33 2 0 0 0 0
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30 35 2 0 0 0 0
31 34 1 0 0 0 0
31 53 1 0 0 0 0
32 33 1 0 0 0 0
32 54 1 0 0 0 0
33 55 1 0 0 0 0
34 36 2 0 0 0 0
35 36 1 0 0 0 0
35 56 1 0 0 0 0
M END
$$$$