B1XMA7
-OEChem-04022111453D
35 37 0 0 0 0 0 0 0999 V2000
0.5080 4.4006 -0.0012 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.4404 -0.9995 0.0009 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.5734 3.6933 -0.0008 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.2691 -4.2840 0.0021 F 0 0 0 0 0 0 0 0 0 0 0 0
5.1181 -0.7264 -1.2592 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1062 -0.6970 1.2599 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8489 1.7890 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4279 1.1154 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1288 1.1631 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8960 -0.1852 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0452 0.7892 -1.2087 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0449 0.7913 1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4231 -0.2424 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2791 0.1389 -1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2787 0.1411 1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9452 3.1631 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1546 2.0827 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5666 -0.9257 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5653 -0.9244 1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0282 -2.7297 0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8522 -2.2909 -1.2072 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8510 -2.2897 1.2089 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9944 -2.9729 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5766 1.0329 -2.1593 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5760 1.0366 2.1575 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7388 -0.1117 -2.1598 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7372 -0.1081 2.1609 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2207 1.8986 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4578 -0.4095 -2.1591 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4554 -0.4074 2.1584 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4554 -2.9595 -0.8981 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4489 -2.9558 0.8996 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9596 -3.3000 0.0072 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9636 -2.8233 -2.1471 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9614 -2.8211 2.1495 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0 0 0 0
2 5 2 0 0 0 0
2 6 2 0 0 0 0
2 10 1 0 0 0 0
2 20 1 0 0 0 0
3 16 1 0 0 0 0
3 17 1 0 0 0 0
4 23 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 16 2 0 0 0 0
8 11 2 0 0 0 0
8 12 1 0 0 0 0
9 13 1 0 0 0 0
9 17 2 0 0 0 0
10 14 2 0 0 0 0
10 15 1 0 0 0 0
11 14 1 0 0 0 0
11 24 1 0 0 0 0
12 15 2 0 0 0 0
12 25 1 0 0 0 0
13 18 2 0 0 0 0
13 19 1 0 0 0 0
14 26 1 0 0 0 0
15 27 1 0 0 0 0
17 28 1 0 0 0 0
18 21 1 0 0 0 0
18 29 1 0 0 0 0
19 22 2 0 0 0 0
19 30 1 0 0 0 0
20 31 1 0 0 0 0
20 32 1 0 0 0 0
20 33 1 0 0 0 0
21 23 2 0 0 0 0
21 34 1 0 0 0 0
22 23 1 0 0 0 0
22 35 1 0 0 0 0
M END
$$$$