BV28JG
-OEChem-04012114252D
59 62 0 0 0 0 0 0 0999 V2000
4.0641 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
6.9026 11.1109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4914 6.7714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6766 2.9598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8182 6.8068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1888 4.8640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7746 2.7343 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
9.1281 4.4298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8442 6.2362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5644 9.6246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4619 3.6841 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
4.1750 5.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5352 7.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2043 7.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8953 8.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4840 4.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1810 5.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2554 10.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5425 9.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4622 4.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8223 6.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8746 4.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1313 5.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6783 3.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9245 11.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2117 10.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4994 6.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7688 3.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8654 4.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1534 4.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4851 6.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1660 5.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4829 3.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7859 3.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1300 7.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1534 7.6758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9877 6.8962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5860 7.4418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7517 8.2215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5136 9.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3478 8.5904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8737 11.0642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7080 10.2846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3103 8.8419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0683 9.0882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1568 11.8937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3987 11.6474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5934 9.6713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7591 10.4509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6973 6.8576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3486 2.8827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6812 3.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5629 5.3419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9753 2.5238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 4.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7191 7.5636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3234 8.3460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5410 7.9503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0641 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 21 2 0 0 0 0
4 24 2 0 0 0 0
5 31 1 0 0 0 0
5 35 1 0 0 0 0
6 32 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 21 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 22 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 23 1 0 0 0 0
22 24 1 0 0 0 0
22 29 2 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
$$$$