BH3W2D
-OEChem-04012115122D
42 42 0 1 0 0 0 0 0999 V2000
3.2528 0.0000 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0
2.0539 5.1078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0539 3.3059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6930 6.2415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4250 6.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6106 3.6860 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
5.5416 7.7514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8106 4.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8106 3.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7046 5.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0288 5.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6106 4.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0288 3.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7046 3.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6200 4.2069 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.4747 5.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4747 3.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6200 4.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5532 6.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4018 8.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6699 8.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5136 5.7169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7598 5.8890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7598 2.5248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5136 2.6968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6974 2.5522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2901 4.7318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7868 4.6953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0105 5.5431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1627 5.7668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1627 2.6470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0105 2.8706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7868 3.7185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6200 4.8269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 4.2069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6200 3.5869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7180 7.7280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9352 8.5776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0856 8.7947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9737 8.7818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1294 8.5451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3661 7.7008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 11 1 0 0 0 0
2 15 1 0 0 0 0
3 13 1 0 0 0 0
3 15 1 0 0 0 0
4 10 1 0 0 0 0
4 19 1 0 0 0 0
5 19 2 0 0 0 0
6 12 2 0 0 0 0
6 14 1 0 0 0 0
6 17 1 0 0 0 0
7 19 1 0 0 0 0
7 20 1 0 0 0 0
7 21 1 0 0 0 0
8 9 1 0 0 0 0
8 10 2 0 0 0 0
8 11 1 0 0 0 0
9 13 1 0 0 0 0
9 14 2 0 0 0 0
10 12 1 0 0 0 0
11 22 1 0 0 0 0
11 23 1 0 0 0 0
12 16 1 0 0 0 0
13 24 1 0 0 0 0
13 25 1 0 0 0 0
14 26 1 0 0 0 0
15 18 1 0 0 0 0
15 27 1 0 0 0 0
16 28 1 0 0 0 0
16 29 1 0 0 0 0
16 30 1 0 0 0 0
17 31 1 0 0 0 0
17 32 1 0 0 0 0
17 33 1 0 0 0 0
18 34 1 0 0 0 0
18 35 1 0 0 0 0
18 36 1 0 0 0 0
20 37 1 0 0 0 0
20 38 1 0 0 0 0
20 39 1 0 0 0 0
21 40 1 0 0 0 0
21 41 1 0 0 0 0
21 42 1 0 0 0 0
M CHG 2 1 -1 6 1
M END
$$$$