BO47VL
-OEChem-04022107032D
43 46 0 0 0 0 0 0 0999 V2000
7.7250 3.4452 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
5.8372 -3.2196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6520 0.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9788 0.6273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9351 -3.4452 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
11.2887 -1.7496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0048 0.0568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.6225 -2.4953 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
6.3356 -0.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6446 -1.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3416 -0.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6228 -1.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0352 -1.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6957 1.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2919 -1.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8389 -2.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9829 -0.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3649 1.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6600 0.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9294 -2.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0260 -1.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3140 -1.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6457 -0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6435 -2.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3266 -1.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9465 -3.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0558 2.7020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3140 1.4964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1483 0.7168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7466 1.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9123 2.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8578 0.6781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5092 -3.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8417 -2.4584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7235 -0.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7207 -1.2346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1358 -3.6556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6741 3.1906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5084 2.4110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8729 1.0292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3932 0.2953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1271 -0.1845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 27 1 0 0 0 0
2 16 2 0 0 0 0
3 17 2 0 0 0 0
4 23 1 0 0 0 0
4 28 1 0 0 0 0
5 8 1 0 0 0 0
6 8 2 0 0 0 0
7 9 1 0 0 0 0
7 14 1 0 0 0 0
7 17 1 0 0 0 0
8 24 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
10 12 1 0 0 0 0
10 16 1 0 0 0 0
11 13 2 0 0 0 0
11 19 1 0 0 0 0
12 15 2 0 0 0 0
12 20 1 0 0 0 0
13 16 1 0 0 0 0
13 21 1 0 0 0 0
14 18 1 0 0 0 0
14 29 1 0 0 0 0
14 30 1 0 0 0 0
15 17 1 0 0 0 0
15 22 1 0 0 0 0
18 27 1 0 0 0 0
18 31 1 0 0 0 0
18 32 1 0 0 0 0
19 23 2 0 0 0 0
19 33 1 0 0 0 0
20 26 2 0 0 0 0
20 34 1 0 0 0 0
21 25 2 0 0 0 0
21 35 1 0 0 0 0
22 24 2 0 0 0 0
22 36 1 0 0 0 0
23 25 1 0 0 0 0
24 26 1 0 0 0 0
25 37 1 0 0 0 0
26 38 1 0 0 0 0
27 39 1 0 0 0 0
27 40 1 0 0 0 0
28 41 1 0 0 0 0
28 42 1 0 0 0 0
28 43 1 0 0 0 0
M CHG 2 5 -1 8 1
M END
$$$$