B4DCG1
-OEChem-04012112103D
41 43 0 0 0 0 0 0 0999 V2000
-5.0915 2.3806 0.0198 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.6498 0.7854 -0.0334 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.1208 -5.5941 0.0044 F 0 0 0 0 0 0 0 0 0 0 0 0
5.0864 1.3644 -1.2959 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1240 1.3498 1.2229 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4966 4.0231 -0.5291 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1463 1.8485 0.0042 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3277 0.7350 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1122 -0.3974 0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1244 0.7473 -0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4580 0.0229 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5980 -1.7393 0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4553 1.3993 0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9039 0.7705 -0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8047 0.7515 -1.2197 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8187 0.7545 1.1963 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1995 0.7631 -1.2276 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2135 0.7662 1.1882 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7660 3.1978 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3560 -2.3916 -1.2022 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3416 -2.3874 1.2137 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1061 -0.9337 -0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4612 3.5108 0.6678 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8570 -3.6942 -1.2027 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8424 -3.6899 1.2132 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6002 -4.3433 0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3350 -0.6114 0.0199 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2688 0.7449 -2.1655 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2955 0.7388 2.1494 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7163 0.7592 -2.1831 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7420 0.7631 2.1373 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5504 -1.9000 -2.1525 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5247 -1.8923 2.1645 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7152 -1.4055 0.8697 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6981 -1.4090 -0.9278 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1964 -0.9948 -0.0444 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3868 3.3266 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4554 4.5880 0.8763 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3817 3.0278 1.6426 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6679 -4.2032 -2.1432 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6421 -4.1954 2.1532 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
2 4 2 0 0 0 0
2 5 2 0 0 0 0
2 14 1 0 0 0 0
2 22 1 0 0 0 0
3 26 1 0 0 0 0
6 19 2 0 0 0 0
7 8 1 0 0 0 0
7 13 1 0 0 0 0
7 19 1 0 0 0 0
8 9 2 0 0 0 0
8 10 1 0 0 0 0
9 11 1 0 0 0 0
9 12 1 0 0 0 0
10 15 2 0 0 0 0
10 16 1 0 0 0 0
11 13 2 0 0 0 0
11 27 1 0 0 0 0
12 20 2 0 0 0 0
12 21 1 0 0 0 0
14 17 2 0 0 0 0
14 18 1 0 0 0 0
15 17 1 0 0 0 0
15 28 1 0 0 0 0
16 18 2 0 0 0 0
16 29 1 0 0 0 0
17 30 1 0 0 0 0
18 31 1 0 0 0 0
19 23 1 0 0 0 0
20 24 1 0 0 0 0
20 32 1 0 0 0 0
21 25 2 0 0 0 0
21 33 1 0 0 0 0
22 34 1 0 0 0 0
22 35 1 0 0 0 0
22 36 1 0 0 0 0
23 37 1 0 0 0 0
23 38 1 0 0 0 0
23 39 1 0 0 0 0
24 26 2 0 0 0 0
24 40 1 0 0 0 0
25 26 1 0 0 0 0
25 41 1 0 0 0 0
M END
$$$$