BRO4G5
-OEChem-04012119282D
66 70 0 1 0 0 0 0 0999 V2000
7.9128 -2.1338 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.4128 -1.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4128 -2.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9487 3.0568 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
4.4487 0.8662 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
3.4782 -1.6284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -0.2271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -1.8363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.9702 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3826 3.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3265 4.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0523 4.9017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9962 5.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5722 2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9487 3.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3497 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3252 2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5477 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -0.1338 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.3147 -0.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -0.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -0.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -1.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2213 -2.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -0.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -1.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0134 -3.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 -2.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0623 -3.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7565 -3.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8544 -4.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5486 -4.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5976 -5.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7636 3.9925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5312 3.7028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9117 4.4928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8475 5.4869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4671 4.6969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5814 5.4367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7914 5.8171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1308 2.0060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9588 2.7597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0867 3.6613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3901 3.3258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4876 0.6956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9697 1.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9386 2.7597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7666 2.0060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9277 1.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4098 0.6956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9118 0.1762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.4862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 -1.9438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7962 -2.5298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5498 -1.7717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5837 -0.3238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.7538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4688 -3.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3158 -2.9438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0888 -2.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6016 -3.1698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3462 -3.7532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2648 -4.7544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0094 -5.3378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4686 -5.8384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 2 0 0 0 0
1 27 1 0 0 0 0
1 29 1 0 0 0 0
4 10 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 18 1 0 0 0 0
5 19 1 0 0 0 0
6 8 1 0 0 0 0
6 21 1 0 0 0 0
6 24 1 0 0 0 0
7 9 1 0 0 0 0
7 21 2 0 0 0 0
8 9 2 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
10 35 1 0 0 0 0
11 13 1 0 0 0 0
11 36 1 0 0 0 0
11 37 1 0 0 0 0
12 13 1 0 0 0 0
12 38 1 0 0 0 0
12 39 1 0 0 0 0
13 40 1 0 0 0 0
13 41 1 0 0 0 0
14 16 1 0 0 0 0
14 42 1 0 0 0 0
14 43 1 0 0 0 0
15 17 1 0 0 0 0
15 44 1 0 0 0 0
15 45 1 0 0 0 0
16 46 1 0 0 0 0
16 47 1 0 0 0 0
17 18 1 0 0 0 0
17 48 1 0 0 0 0
17 49 1 0 0 0 0
18 50 1 0 0 0 0
18 51 1 0 0 0 0
19 20 1 0 0 0 0
19 21 1 0 0 0 0
19 52 1 0 0 0 0
20 22 2 0 0 0 0
20 23 1 0 0 0 0
22 25 1 0 0 0 0
22 53 1 0 0 0 0
23 26 2 0 0 0 0
23 54 1 0 0 0 0
24 28 1 0 0 0 0
24 55 1 0 0 0 0
24 56 1 0 0 0 0
25 27 2 0 0 0 0
25 57 1 0 0 0 0
26 27 1 0 0 0 0
26 58 1 0 0 0 0
28 30 2 0 0 0 0
28 31 1 0 0 0 0
29 59 1 0 0 0 0
29 60 1 0 0 0 0
29 61 1 0 0 0 0
30 32 1 0 0 0 0
30 62 1 0 0 0 0
31 33 2 0 0 0 0
31 63 1 0 0 0 0
32 34 2 0 0 0 0
32 64 1 0 0 0 0
33 34 1 0 0 0 0
33 65 1 0 0 0 0
34 66 1 0 0 0 0
M END
$$$$