BR5XQ0
-OEChem-04022107022D
48 52 0 1 0 0 0 0 0999 V2000
10.9045 2.5488 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 1.1700 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -2.8245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 -1.3245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6448 -0.3245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.5911 -1.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.1747 -0.8245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.8533 1.2381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 -1.8245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.9128 -0.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 0.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6448 -1.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 -2.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5911 -0.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -1.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -1.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9017 0.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -0.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -1.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3154 1.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 0.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -1.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -0.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8551 2.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 0.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6651 2.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -0.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 1.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2419 -2.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7008 0.2581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3022 -0.4322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1774 0.6504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3803 0.6504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1588 -2.8245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 -3.4445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3988 -2.8245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7177 -0.0145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -2.4445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6954 1.7419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 0.7955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9118 -1.6345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0286 2.3223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1673 3.1881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3015 3.3267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5402 -0.8377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 0.4471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2478 1.9443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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3 15 2 0 0 0 0
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28 47 1 0 0 0 0
29 48 1 0 0 0 0
M END
$$$$