BRE25C
-OEChem-04042101433D
61 65 0 0 0 0 0 0 0999 V2000
8.1474 1.1235 -0.3234 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.2121 -1.2255 -1.2296 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.0352 0.9642 3.4118 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8280 1.9606 -2.7092 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2632 -0.2381 -0.7515 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1477 -1.6951 -2.6003 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3196 0.1222 1.6447 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2039 -2.5676 -0.1862 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7378 0.2870 0.3317 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7900 -1.0259 2.4068 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0546 -2.3121 2.0432 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3333 1.3305 -0.4177 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5432 -2.2096 2.2748 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6345 -0.5618 -0.4658 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4344 2.3464 0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1697 -3.4938 1.8437 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4446 1.0500 2.2548 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7578 0.0089 -1.7323 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9928 2.2087 1.4312 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9493 1.2176 -1.7583 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6872 -3.4517 2.0591 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3302 -1.7362 -0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4228 -2.3781 1.2636 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9941 3.4447 -0.6423 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5270 -0.5173 -2.7567 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1255 3.1559 1.9926 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1203 -2.2993 -1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2179 -1.6943 -2.4918 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1299 4.3872 -0.0803 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3035 4.2431 1.2343 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8397 -0.5822 -0.9804 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8949 -1.0268 -1.7770 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0686 0.3707 0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1789 -0.5187 -1.5810 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3527 0.8787 0.2084 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4078 0.4341 -0.5882 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8778 -1.1036 2.3348 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6111 -0.8335 3.4726 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4601 -3.1330 2.6467 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2013 -2.5866 0.9963 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1411 -1.3723 1.6976 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3409 -2.0095 3.3334 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2351 -4.3362 2.4185 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0494 -3.7046 0.7901 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8958 -3.3068 3.1260 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0951 -4.4349 1.7918 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3352 -2.2550 0.7302 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0975 -1.3840 1.5822 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4968 -2.4594 1.4634 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3081 3.5939 -1.6707 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5935 -0.0384 -3.7266 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2268 3.0646 3.0165 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6703 -3.2162 -1.0346 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8364 -2.1471 -3.2614 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2047 5.2348 -0.6717 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9758 4.9772 1.6685 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4806 -3.4827 -0.5631 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7406 -1.7733 -2.5509 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2619 0.7299 0.6449 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9905 -0.8767 -2.2093 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5142 1.6205 0.9864 H 0 0 0 0 0 0 0 0 0 0 0 0
1 36 1 0 0 0 0
2 5 2 0 0 0 0
2 6 2 0 0 0 0
2 8 1 0 0 0 0
2 31 1 0 0 0 0
3 17 2 0 0 0 0
4 20 2 0 0 0 0
7 9 1 0 0 0 0
7 10 1 0 0 0 0
7 17 1 0 0 0 0
8 23 1 0 0 0 0
8 57 1 0 0 0 0
9 12 2 0 0 0 0
9 14 1 0 0 0 0
10 11 1 0 0 0 0
10 37 1 0 0 0 0
10 38 1 0 0 0 0
11 13 1 0 0 0 0
11 39 1 0 0 0 0
11 40 1 0 0 0 0
12 15 1 0 0 0 0
12 20 1 0 0 0 0
13 16 1 0 0 0 0
13 41 1 0 0 0 0
13 42 1 0 0 0 0
14 18 1 0 0 0 0
14 22 2 0 0 0 0
15 19 1 0 0 0 0
15 24 2 0 0 0 0
16 21 1 0 0 0 0
16 43 1 0 0 0 0
16 44 1 0 0 0 0
17 19 1 0 0 0 0
18 20 1 0 0 0 0
18 25 2 0 0 0 0
19 26 2 0 0 0 0
21 23 1 0 0 0 0
21 45 1 0 0 0 0
21 46 1 0 0 0 0
22 27 1 0 0 0 0
22 47 1 0 0 0 0
23 48 1 0 0 0 0
23 49 1 0 0 0 0
24 29 1 0 0 0 0
24 50 1 0 0 0 0
25 28 1 0 0 0 0
25 51 1 0 0 0 0
26 30 1 0 0 0 0
26 52 1 0 0 0 0
27 28 2 0 0 0 0
27 53 1 0 0 0 0
28 54 1 0 0 0 0
29 30 2 0 0 0 0
29 55 1 0 0 0 0
30 56 1 0 0 0 0
31 32 2 0 0 0 0
31 33 1 0 0 0 0
32 34 1 0 0 0 0
32 58 1 0 0 0 0
33 35 2 0 0 0 0
33 59 1 0 0 0 0
34 36 2 0 0 0 0
34 60 1 0 0 0 0
35 36 1 0 0 0 0
35 61 1 0 0 0 0
M END
$$$$