BB91DV
-OEChem-04012114252D
53 56 0 0 0 0 0 0 0999 V2000
4.0641 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.6766 2.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4914 6.7721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8182 6.8074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1888 4.8647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7746 2.7349 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
9.1281 4.4305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8442 6.2369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5644 9.6253 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4619 3.6848 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
6.2225 11.1034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1750 5.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4840 4.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1810 5.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5352 7.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4622 4.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8746 4.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1313 5.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6783 3.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8223 6.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2043 7.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4994 6.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8953 8.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7688 3.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8654 4.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1534 4.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4851 6.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1660 5.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4829 3.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7859 3.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5589 9.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3565 10.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9656 10.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1300 7.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1534 7.6765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9877 6.8968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5860 7.4425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7517 8.2221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6973 6.8582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5136 9.3707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3478 8.5910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3486 2.8833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6812 3.7217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5629 5.3426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9753 2.5244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8689 8.9838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7901 10.8556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 4.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5721 10.5632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7191 7.5642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3234 8.3466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5410 7.9509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0641 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 53 1 0 0 0 0
2 19 2 0 0 0 0
3 20 2 0 0 0 0
4 27 1 0 0 0 0
4 34 1 0 0 0 0
5 28 1 0 0 0 0
5 48 1 0 0 0 0
6 10 1 0 0 0 0
7 10 2 0 0 0 0
8 12 1 0 0 0 0
8 15 1 0 0 0 0
8 20 1 0 0 0 0
9 23 1 0 0 0 0
9 31 1 0 0 0 0
9 32 1 0 0 0 0
10 29 1 0 0 0 0
11 32 2 0 0 0 0
11 33 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
13 16 1 0 0 0 0
13 19 1 0 0 0 0
14 17 1 0 0 0 0
14 22 2 0 0 0 0
15 21 1 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
16 18 2 0 0 0 0
16 24 1 0 0 0 0
17 19 1 0 0 0 0
17 25 2 0 0 0 0
18 20 1 0 0 0 0
18 26 1 0 0 0 0
21 23 1 0 0 0 0
21 37 1 0 0 0 0
21 38 1 0 0 0 0
22 27 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
23 41 1 0 0 0 0
24 30 2 0 0 0 0
24 42 1 0 0 0 0
25 28 1 0 0 0 0
25 43 1 0 0 0 0
26 29 2 0 0 0 0
26 44 1 0 0 0 0
27 28 2 0 0 0 0
29 30 1 0 0 0 0
30 45 1 0 0 0 0
31 33 2 0 0 0 0
31 46 1 0 0 0 0
32 47 1 0 0 0 0
33 49 1 0 0 0 0
34 50 1 0 0 0 0
34 51 1 0 0 0 0
34 52 1 0 0 0 0
M CHG 2 6 -1 10 1
M END
$$$$