B4U8AL
-OEChem-04022109142D
55 58 0 1 0 0 0 0 0999 V2000
4.6991 3.0699 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
7.4088 -2.8727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8104 -0.0664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 -3.4812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4088 -0.6257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 -1.7492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -3.4812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 -1.7492 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6313 0.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4339 -0.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4339 -2.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1906 -1.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8983 1.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1906 -2.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1208 2.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5000 -2.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0846 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -2.6152 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3877 2.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9427 0.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0846 -2.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1208 2.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9906 -1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4322 2.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2097 1.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9906 -2.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -1.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6038 3.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3604 3.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5968 4.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6701 -2.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2026 0.1084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9677 0.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8294 -2.7881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4339 -3.2702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6900 -1.2122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0774 -0.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8100 -3.1521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8048 0.1302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0774 -3.4038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5704 1.8690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5264 -0.9163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6172 1.2321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5264 -2.5821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5369 -1.4392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6900 -1.2122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4631 -2.0592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1445 4.1199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3100 -4.0182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9535 3.4901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7324 4.6232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.8612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 -3.4812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.1012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 24 1 0 0 0 0
2 11 1 0 0 0 0
2 14 1 0 0 0 0
3 10 2 0 0 0 0
4 16 2 0 0 0 0
5 9 1 0 0 0 0
5 10 1 0 0 0 0
5 12 1 0 0 0 0
8 6 1 6 0 0 0
6 16 1 0 0 0 0
6 37 1 0 0 0 0
18 7 1 1 0 0 0
7 31 1 0 0 0 0
7 50 1 0 0 0 0
8 10 1 0 0 0 0
8 11 1 0 0 0 0
8 32 1 0 0 0 0
9 13 1 0 0 0 0
9 33 1 0 0 0 0
9 34 1 0 0 0 0
11 35 1 0 0 0 0
11 36 1 0 0 0 0
12 14 1 0 0 0 0
12 17 2 0 0 0 0
13 15 1 0 0 0 0
13 20 2 0 0 0 0
14 21 2 0 0 0 0
15 19 1 0 0 0 0
15 22 2 0 0 0 0
16 18 1 0 0 0 0
17 23 1 0 0 0 0
17 38 1 0 0 0 0
18 27 1 0 0 0 0
18 39 1 0 0 0 0
19 24 1 0 0 0 0
19 28 2 0 0 0 0
20 25 1 0 0 0 0
20 40 1 0 0 0 0
21 26 1 0 0 0 0
21 41 1 0 0 0 0
22 29 1 0 0 0 0
22 42 1 0 0 0 0
23 26 2 0 0 0 0
23 43 1 0 0 0 0
24 25 2 0 0 0 0
25 44 1 0 0 0 0
26 45 1 0 0 0 0
27 46 1 0 0 0 0
27 47 1 0 0 0 0
27 48 1 0 0 0 0
28 30 1 0 0 0 0
28 49 1 0 0 0 0
29 30 2 0 0 0 0
29 51 1 0 0 0 0
30 52 1 0 0 0 0
31 53 1 0 0 0 0
31 54 1 0 0 0 0
31 55 1 0 0 0 0
M END
$$$$