BVUM70
-OEChem-04042102503D
46 48 0 1 0 0 0 0 0999 V2000
1.2842 -5.6385 1.3686 Br 0 0 0 0 0 0 0 0 0 0 0 0
-5.7067 1.5236 0.9289 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9322 -0.3355 -0.3593 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.8701 -0.4706 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0945 1.7967 0.2123 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4508 2.4996 0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1898 -0.0512 -1.2546 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5703 0.6070 -1.2053 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3253 1.6519 -0.1628 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2133 -1.4033 -0.6198 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8918 3.4701 1.4103 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0550 3.2706 -0.8083 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5021 1.5867 1.0026 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9971 0.7864 -0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4983 -2.5307 -1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9497 -1.5383 0.7433 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7062 -0.2408 -0.9436 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6719 1.7296 0.4542 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5194 -3.7932 -0.7974 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9707 -2.8007 1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0901 -0.3250 -0.7911 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0558 1.6454 0.6066 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2555 -3.9282 0.5657 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7649 0.6182 -0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2076 0.5294 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8373 -0.1074 -2.2923 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7974 1.0993 -2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3827 -0.0727 -0.9408 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6866 4.1055 1.8179 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4337 2.9388 2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1319 4.1344 0.9819 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8234 3.9716 -0.4629 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5284 2.6040 -1.5377 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2903 3.8482 -1.3409 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2829 2.1746 1.4984 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9993 0.9509 0.2623 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0522 0.9261 1.7529 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7063 -2.4375 -2.4526 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7548 -0.6933 1.3959 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2366 -0.9837 -1.5793 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1533 2.5448 0.9518 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7433 -4.6614 -1.4117 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7699 -2.8885 2.4007 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6255 -1.1294 -1.2887 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5416 2.4005 1.2184 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6800 1.4545 1.0304 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0 0 0 0
2 25 1 0 0 0 0
2 46 1 0 0 0 0
3 25 2 0 0 0 0
4 5 1 0 0 0 0
4 7 1 0 0 0 0
4 14 1 0 0 0 0
5 9 2 0 0 0 0
6 9 1 0 0 0 0
6 11 1 0 0 0 0
6 12 1 0 0 0 0
6 13 1 0 0 0 0
7 8 1 0 0 0 0
7 10 1 0 0 0 0
7 26 1 0 0 0 0
8 9 1 0 0 0 0
8 27 1 0 0 0 0
8 28 1 0 0 0 0
10 15 2 0 0 0 0
10 16 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
11 31 1 0 0 0 0
12 32 1 0 0 0 0
12 33 1 0 0 0 0
12 34 1 0 0 0 0
13 35 1 0 0 0 0
13 36 1 0 0 0 0
13 37 1 0 0 0 0
14 17 2 0 0 0 0
14 18 1 0 0 0 0
15 19 1 0 0 0 0
15 38 1 0 0 0 0
16 20 2 0 0 0 0
16 39 1 0 0 0 0
17 21 1 0 0 0 0
17 40 1 0 0 0 0
18 22 2 0 0 0 0
18 41 1 0 0 0 0
19 23 2 0 0 0 0
19 42 1 0 0 0 0
20 23 1 0 0 0 0
20 43 1 0 0 0 0
21 24 2 0 0 0 0
21 44 1 0 0 0 0
22 24 1 0 0 0 0
22 45 1 0 0 0 0
24 25 1 0 0 0 0
M END
$$$$