BR7D0F
-OEChem-04022109243D
28 28 0 0 0 0 0 0 0999 V2000
2.6393 -1.1945 -0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1301 -0.3281 -0.0002 N 0 3 0 0 0 0 0 0 0 0 0 0
-0.6846 0.1751 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8308 0.1931 -1.2517 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8257 0.1759 1.2613 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2107 -1.8532 -0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2915 -0.7643 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5029 1.5175 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6088 -0.3056 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8142 1.9761 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8701 1.0647 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9609 -0.6568 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2595 -0.1222 -2.1307 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8362 -0.2392 -1.2827 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9144 1.2824 -1.2074 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9041 1.2662 1.2341 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8327 -0.2530 1.2881 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2530 -0.1550 2.1337 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7546 -2.2523 0.9021 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2712 -2.1304 -0.0126 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7526 -2.2404 -0.9261 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1548 -1.8367 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3051 2.2452 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0170 3.0433 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8681 1.4895 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1610 -0.0803 0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1605 -0.0800 -0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6545 -1.5040 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 12 1 0 0 0 0
2 3 1 0 0 0 0
2 4 1 0 0 0 0
2 5 1 0 0 0 0
2 6 1 0 0 0 0
3 7 2 0 0 0 0
3 8 1 0 0 0 0
4 13 1 0 0 0 0
4 14 1 0 0 0 0
4 15 1 0 0 0 0
5 16 1 0 0 0 0
5 17 1 0 0 0 0
5 18 1 0 0 0 0
6 19 1 0 0 0 0
6 20 1 0 0 0 0
6 21 1 0 0 0 0
7 9 1 0 0 0 0
7 22 1 0 0 0 0
8 10 2 0 0 0 0
8 23 1 0 0 0 0
9 11 2 0 0 0 0
10 11 1 0 0 0 0
10 24 1 0 0 0 0
11 25 1 0 0 0 0
12 26 1 0 0 0 0
12 27 1 0 0 0 0
12 28 1 0 0 0 0
M CHG 1 2 1
M END
$$$$