B1YWX4
-OEChem-04012112122D
51 53 0 0 0 0 0 0 0999 V2000
5.3176 3.6739 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
6.4053 -2.6739 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
11.0186 0.6778 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 2.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4374 0.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4053 -2.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4053 -2.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5963 1.9139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4053 1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 1.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2144 1.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4053 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9053 2.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9053 2.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 1.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1654 1.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6420 2.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2601 1.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2714 -0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5393 -0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4053 -1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2714 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5393 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9086 2.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3733 0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4053 -3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8596 1.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3244 0.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0675 0.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2698 3.3665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8084 2.2456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4103 1.4643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1916 1.0663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2317 3.1076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4504 3.5057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0524 2.7244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6704 0.8223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4517 0.4242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8497 1.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8083 0.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0024 0.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8083 -1.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0024 -1.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7796 2.8804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9126 0.2118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7853 -3.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4053 -4.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0253 -3.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3204 2.3798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4533 -0.2888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
2 6 2 0 0 0 0
2 7 2 0 0 0 0
2 22 1 0 0 0 0
2 27 1 0 0 0 0
3 30 1 0 0 0 0
4 10 1 0 0 0 0
4 15 1 0 0 0 0
5 15 2 0 0 0 0
8 9 1 0 0 0 0
8 13 1 0 0 0 0
8 15 1 0 0 0 0
9 11 2 0 0 0 0
9 12 1 0 0 0 0
10 17 1 0 0 0 0
10 18 1 0 0 0 0
10 19 1 0 0 0 0
11 14 1 0 0 0 0
11 16 1 0 0 0 0
12 20 2 0 0 0 0
12 21 1 0 0 0 0
13 14 2 0 0 0 0
14 31 1 0 0 0 0
16 25 2 0 0 0 0
16 26 1 0 0 0 0
17 32 1 0 0 0 0
17 33 1 0 0 0 0
17 34 1 0 0 0 0
18 35 1 0 0 0 0
18 36 1 0 0 0 0
18 37 1 0 0 0 0
19 38 1 0 0 0 0
19 39 1 0 0 0 0
19 40 1 0 0 0 0
20 23 1 0 0 0 0
20 41 1 0 0 0 0
21 24 2 0 0 0 0
21 42 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
23 43 1 0 0 0 0
24 44 1 0 0 0 0
25 28 1 0 0 0 0
25 45 1 0 0 0 0
26 29 2 0 0 0 0
26 46 1 0 0 0 0
27 47 1 0 0 0 0
27 48 1 0 0 0 0
27 49 1 0 0 0 0
28 30 2 0 0 0 0
28 50 1 0 0 0 0
29 30 1 0 0 0 0
29 51 1 0 0 0 0
M END
$$$$