B1NB7Q
-OEChem-04012114252D
55 58 0 0 0 0 0 0 0999 V2000
3.9584 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
6.6913 11.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2801 6.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4652 2.9611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6068 6.8081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5632 2.7356 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
8.9168 4.4312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6328 6.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3530 9.6259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.2505 3.6855 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
4.3238 7.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9929 7.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9637 5.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6839 8.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2727 4.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9696 5.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0440 10.5770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3312 9.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2509 4.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6110 6.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9200 5.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6632 4.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4670 3.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7132 11.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0003 10.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2880 6.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5574 3.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9421 4.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6540 4.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2716 3.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2737 6.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5746 3.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9546 5.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9421 7.6772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7764 6.8975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3746 7.4432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5404 8.2228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3022 9.3714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1365 8.5917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6623 11.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4966 10.2859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0989 8.8432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8570 9.0895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9454 11.8950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1874 11.6487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3820 9.6726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5478 10.4522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4859 6.8589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1373 2.8840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3516 5.3432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4698 3.7224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7639 2.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3488 4.9461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 6.6810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9584 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 55 1 0 0 0 0
2 24 1 0 0 0 0
2 25 1 0 0 0 0
3 20 2 0 0 0 0
4 23 2 0 0 0 0
5 31 1 0 0 0 0
5 54 1 0 0 0 0
6 10 1 0 0 0 0
7 10 2 0 0 0 0
8 11 1 0 0 0 0
8 13 1 0 0 0 0
8 20 1 0 0 0 0
9 14 1 0 0 0 0
9 17 1 0 0 0 0
9 18 1 0 0 0 0
10 30 1 0 0 0 0
11 12 1 0 0 0 0
11 34 1 0 0 0 0
11 35 1 0 0 0 0
12 14 1 0 0 0 0
12 36 1 0 0 0 0
12 37 1 0 0 0 0
13 15 2 0 0 0 0
13 16 1 0 0 0 0
14 38 1 0 0 0 0
14 39 1 0 0 0 0
15 19 1 0 0 0 0
15 23 1 0 0 0 0
16 22 2 0 0 0 0
16 26 1 0 0 0 0
17 24 1 0 0 0 0
17 40 1 0 0 0 0
17 41 1 0 0 0 0
18 25 1 0 0 0 0
18 42 1 0 0 0 0
18 43 1 0 0 0 0
19 21 2 0 0 0 0
19 27 1 0 0 0 0
20 21 1 0 0 0 0
21 28 1 0 0 0 0
22 23 1 0 0 0 0
22 29 1 0 0 0 0
24 44 1 0 0 0 0
24 45 1 0 0 0 0
25 46 1 0 0 0 0
25 47 1 0 0 0 0
26 31 2 0 0 0 0
26 48 1 0 0 0 0
27 32 2 0 0 0 0
27 49 1 0 0 0 0
28 30 2 0 0 0 0
28 50 1 0 0 0 0
29 33 2 0 0 0 0
29 51 1 0 0 0 0
30 32 1 0 0 0 0
31 33 1 0 0 0 0
32 52 1 0 0 0 0
33 53 1 0 0 0 0
M CHG 2 6 -1 10 1
M END
$$$$