BRCJ26
-OEChem-04022114153D
47 47 0 1 0 0 0 0 0999 V2000
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-5.3194 2.3565 0.8965 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5711 0.4070 -0.4546 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4563 -0.4650 0.1367 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9508 0.0324 0.0997 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0740 -0.1377 -0.4339 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0901 0.8637 -0.4986 C 0 0 0 0 0 0 0 0 0 0 0 0
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8.4752 0.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4755 -0.3126 -0.0247 C 0 0 0 0 0 0 0 0 0 0 0 0
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9.5711 1.2593 -0.6782 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5079 0.8109 0.9035 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.3649 1.4641 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.9525 0.9488 -0.5093 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9212 1.9230 -0.2682 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0601 0.7700 -1.5915 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6397 -0.6142 -0.1988 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5358 0.5926 1.0851 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6205 -0.7704 -1.0101 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5368 0.7755 -0.1453 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5084 -1.8781 1.0567 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3807 -0.3814 1.9419 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7979 -1.9776 -1.0562 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4511 2.3286 -0.4772 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5535 0.9517 -0.3064 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5561 1.1091 -1.7624 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9341 1.4798 1.5405 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2677 -2.2089 -0.6511 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4835 -1.6208 -1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6709 2.8167 1.4566 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4437 0.1415 -1.7995 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6421 -1.2362 -1.0552 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9458 -0.4242 -2.5280 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
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17 19 2 0 0 0 0
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21 45 1 0 0 0 0
21 46 1 0 0 0 0
21 47 1 0 0 0 0
M END
$$$$