BT53FA
-OEChem-04012114252D
59 62 0 0 0 0 0 0 0999 V2000
4.4172 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
7.6089 11.1109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1977 6.7714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3828 2.9598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8951 4.8640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5244 6.8068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4808 2.7343 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
9.8344 4.4298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5504 6.2362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2707 9.6246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.1681 3.6841 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
4.8813 5.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2414 7.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9106 7.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6015 8.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1903 4.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8872 5.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9616 10.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2488 9.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1685 4.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5809 4.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5286 6.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8376 5.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3846 3.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6308 11.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9179 10.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2056 6.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4750 3.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5717 4.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8597 4.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1914 6.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8722 5.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1892 3.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4922 3.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5906 3.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8597 7.6758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6940 6.8962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2923 7.4418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4580 8.2215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2198 9.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0541 8.5904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5799 11.0642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4142 10.2846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0166 8.8419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7746 9.0882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8630 11.8937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1050 11.6474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2996 9.6713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4654 10.4509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4035 6.8576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0549 2.8827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3874 3.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2692 5.3419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6815 2.5238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7178 7.3959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 4.1004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4017 3.3210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1811 3.7227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4172 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 59 1 0 0 0 0
2 25 1 0 0 0 0
2 26 1 0 0 0 0
3 22 2 0 0 0 0
4 24 2 0 0 0 0
5 32 1 0 0 0 0
5 35 1 0 0 0 0
6 31 1 0 0 0 0
6 55 1 0 0 0 0
7 11 1 0 0 0 0
8 11 2 0 0 0 0
9 12 1 0 0 0 0
9 13 1 0 0 0 0
9 22 1 0 0 0 0
10 15 1 0 0 0 0
10 18 1 0 0 0 0
10 19 1 0 0 0 0
11 33 1 0 0 0 0
12 16 2 0 0 0 0
12 17 1 0 0 0 0
13 14 1 0 0 0 0
13 36 1 0 0 0 0
13 37 1 0 0 0 0
14 15 1 0 0 0 0
14 38 1 0 0 0 0
14 39 1 0 0 0 0
15 40 1 0 0 0 0
15 41 1 0 0 0 0
16 20 1 0 0 0 0
16 24 1 0 0 0 0
17 21 1 0 0 0 0
17 27 2 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 26 1 0 0 0 0
19 44 1 0 0 0 0
19 45 1 0 0 0 0
20 23 2 0 0 0 0
20 28 1 0 0 0 0
21 24 1 0 0 0 0
21 29 2 0 0 0 0
22 23 1 0 0 0 0
23 30 1 0 0 0 0
25 46 1 0 0 0 0
25 47 1 0 0 0 0
26 48 1 0 0 0 0
26 49 1 0 0 0 0
27 31 1 0 0 0 0
27 50 1 0 0 0 0
28 34 2 0 0 0 0
28 51 1 0 0 0 0
29 32 1 0 0 0 0
29 52 1 0 0 0 0
30 33 2 0 0 0 0
30 53 1 0 0 0 0
31 32 2 0 0 0 0
33 34 1 0 0 0 0
34 54 1 0 0 0 0
35 56 1 0 0 0 0
35 57 1 0 0 0 0
35 58 1 0 0 0 0
M CHG 2 7 -1 11 1
M END
$$$$