B6CGX4
-OEChem-04012114252D
49 52 0 0 0 0 0 0 0999 V2000
3.9584 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
6.2801 6.7735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4652 2.9618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6068 6.8088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5632 2.7363 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
8.9168 4.4319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6328 6.2382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3530 9.6267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.2505 3.6862 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
6.7543 10.4357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9637 5.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2727 4.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3238 7.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9696 5.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2509 4.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6632 4.5468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9200 5.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6110 6.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9929 7.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4670 3.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6839 8.8835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2880 6.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5574 3.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9421 4.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6540 4.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2716 3.8903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2737 6.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5746 3.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9546 5.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1451 10.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3476 9.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0112 11.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9421 7.6779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7764 6.8982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3746 7.4439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5404 8.2235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3022 9.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1365 8.5924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4859 6.8596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1373 2.8847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3516 5.3440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4698 3.7231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7639 2.5258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3488 4.9469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5787 10.8570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6576 8.9852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 6.6817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0760 11.7214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9584 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 49 1 0 0 0 0
2 18 2 0 0 0 0
3 20 2 0 0 0 0
4 27 1 0 0 0 0
4 47 1 0 0 0 0
5 9 1 0 0 0 0
6 9 2 0 0 0 0
7 11 1 0 0 0 0
7 13 1 0 0 0 0
7 18 1 0 0 0 0
8 21 1 0 0 0 0
8 30 1 0 0 0 0
8 31 1 0 0 0 0
9 26 1 0 0 0 0
10 31 2 0 0 0 0
10 32 1 0 0 0 0
11 12 2 0 0 0 0
11 14 1 0 0 0 0
12 15 1 0 0 0 0
12 20 1 0 0 0 0
13 19 1 0 0 0 0
13 33 1 0 0 0 0
13 34 1 0 0 0 0
14 16 2 0 0 0 0
14 22 1 0 0 0 0
15 17 2 0 0 0 0
15 23 1 0 0 0 0
16 20 1 0 0 0 0
16 25 1 0 0 0 0
17 18 1 0 0 0 0
17 24 1 0 0 0 0
19 21 1 0 0 0 0
19 35 1 0 0 0 0
19 36 1 0 0 0 0
21 37 1 0 0 0 0
21 38 1 0 0 0 0
22 27 2 0 0 0 0
22 39 1 0 0 0 0
23 28 2 0 0 0 0
23 40 1 0 0 0 0
24 26 2 0 0 0 0
24 41 1 0 0 0 0
25 29 2 0 0 0 0
25 42 1 0 0 0 0
26 28 1 0 0 0 0
27 29 1 0 0 0 0
28 43 1 0 0 0 0
29 44 1 0 0 0 0
30 32 2 0 0 0 0
30 45 1 0 0 0 0
31 46 1 0 0 0 0
32 48 1 0 0 0 0
M CHG 2 5 -1 9 1
M END
$$$$