BI8E6T
-OEChem-04022106212D
49 51 0 1 0 0 0 0 0999 V2000
7.4793 -3.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7472 -3.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 0.9816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4223 1.5694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7010 3.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8042 1.5694 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.1132 2.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1132 2.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8532 1.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2888 4.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8920 3.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5100 2.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -0.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 0.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1100 1.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7472 -0.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4793 -0.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 -0.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 0.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7472 -1.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4793 -1.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -2.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -3.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7072 0.9570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1780 3.1370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5068 2.6493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7904 3.7740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6532 4.6400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7872 4.5029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2564 4.4188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3904 4.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5276 3.4156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1456 2.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0116 2.3772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8745 3.2432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1060 -0.1327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2389 2.5359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2103 -0.2084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0162 -0.2084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5653 -0.6333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6982 2.0353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2103 -1.8284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0162 -1.8284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8084 0.9229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4103 0.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1916 -0.2564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4793 -4.1384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 25 1 0 0 0 0
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2 25 2 0 0 0 0
3 4 1 0 0 0 0
3 6 1 0 0 0 0
3 13 1 0 0 0 0
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9 14 2 0 0 0 0
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10 31 1 0 0 0 0
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20 24 1 0 0 0 0
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24 46 1 0 0 0 0
24 47 1 0 0 0 0
24 48 1 0 0 0 0
M END
$$$$