B8FR2U
-OEChem-04022109402D
51 53 0 0 0 0 0 0 0999 V2000
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2.7431 -0.4335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4387 2.4581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5474 0.8026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1654 0.8026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8564 1.7536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0374 3.4762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3564 0.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3564 -0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5963 0.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4904 -1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2224 -1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2224 -2.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4904 -2.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3564 -2.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8564 1.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3884 -0.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8532 1.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4374 -0.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 0.8537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 -0.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4442 2.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9545 -2.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6243 -3.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2224 -4.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6252 4.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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8.7594 -0.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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4.9821 1.7691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3084 -1.4001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4414 1.2685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4208 3.5410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2645 -2.8222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4914 -1.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6445 -1.7483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0043 -3.7852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6243 -4.4052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2443 -3.7852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9124 -4.8222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7594 -4.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5324 -3.7483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1268 3.9208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9896 4.7868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1236 4.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4149 0.6964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5392 0.6505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 -0.2251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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29 50 1 0 0 0 0
29 51 1 0 0 0 0
M END
$$$$