B5SR3X
-OEChem-04022109042D
80 83 0 1 0 0 0 0 0999 V2000
2.2690 2.1200 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
7.5361 13.2864 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0
13.5552 0.5853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 4.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.5437 3.6546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 6.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4021 13.7864 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
6.6700 13.7864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3312 2.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5991 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4651 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5991 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3312 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4651 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7331 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1972 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0632 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8671 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9292 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0010 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8671 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7953 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6613 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9292 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5552 2.6547 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
12.6613 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1350 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4613 2.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0010 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7953 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1350 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4613 1.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5369 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5361 12.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6700 11.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4021 11.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6700 10.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4021 10.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5361 10.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5991 4.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8637 4.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0666 4.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9885 2.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3871 2.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9417 3.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5432 4.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0666 1.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8637 1.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1316 4.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3346 4.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7987 1.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5957 1.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4617 3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6647 3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0010 4.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4040 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7953 3.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3923 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0892 2.9698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0722 2.0347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6704 2.7245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0010 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7953 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6704 0.5155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0722 1.2053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0770 3.9708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8796 5.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4810 5.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7924 5.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1909 5.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8469 7.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 7.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2269 6.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1331 12.0964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9390 12.0964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1331 10.4764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9390 10.4764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5361 9.6664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 31 1 0 0 0 0
2 7 1 0 0 0 0
2 8 2 0 0 0 0
2 36 1 0 0 0 0
3 26 1 0 0 0 0
3 32 1 0 0 0 0
4 27 1 0 0 0 0
4 33 1 0 0 0 0
5 25 1 0 0 0 0
5 68 1 0 0 0 0
6 34 1 0 0 0 0
6 35 1 0 0 0 0
9 13 1 0 0 0 0
9 14 1 0 0 0 0
9 16 1 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
10 15 1 0 0 0 0
10 42 1 0 0 0 0
11 13 1 0 0 0 0
11 43 1 0 0 0 0
11 44 1 0 0 0 0
12 14 1 0 0 0 0
12 45 1 0 0 0 0
12 46 1 0 0 0 0
13 47 1 0 0 0 0
13 48 1 0 0 0 0
14 49 1 0 0 0 0
14 50 1 0 0 0 0
15 18 1 0 0 0 0
15 51 1 0 0 0 0
15 52 1 0 0 0 0
16 17 1 0 0 0 0
16 53 1 0 0 0 0
16 54 1 0 0 0 0
17 19 1 0 0 0 0
17 55 1 0 0 0 0
17 56 1 0 0 0 0
18 20 2 0 0 0 0
18 21 1 0 0 0 0
19 22 2 0 0 0 0
19 24 1 0 0 0 0
20 27 1 0 0 0 0
20 57 1 0 0 0 0
21 29 2 0 0 0 0
21 58 1 0 0 0 0
22 23 1 0 0 0 0
22 59 1 0 0 0 0
23 25 1 0 0 0 0
23 26 2 0 0 0 0
24 30 2 0 0 0 0
24 60 1 0 0 0 0
25 28 1 0 0 0 0
25 61 1 0 0 0 0
26 30 1 0 0 0 0
27 31 2 0 0 0 0
28 32 1 0 0 0 0
28 62 1 0 0 0 0
28 63 1 0 0 0 0
29 31 1 0 0 0 0
29 64 1 0 0 0 0
30 65 1 0 0 0 0
32 66 1 0 0 0 0
32 67 1 0 0 0 0
33 34 1 0 0 0 0
33 69 1 0 0 0 0
33 70 1 0 0 0 0
34 71 1 0 0 0 0
34 72 1 0 0 0 0
35 73 1 0 0 0 0
35 74 1 0 0 0 0
35 75 1 0 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
37 39 1 0 0 0 0
37 76 1 0 0 0 0
38 40 2 0 0 0 0
38 77 1 0 0 0 0
39 41 2 0 0 0 0
39 78 1 0 0 0 0
40 41 1 0 0 0 0
40 79 1 0 0 0 0
41 80 1 0 0 0 0
M CHG 1 7 -1
M END
$$$$