BF98KQ
-OEChem-04012114252D
55 58 0 0 0 0 0 0 0999 V2000
4.1782 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
7.1309 11.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7197 6.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9048 2.9611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4170 4.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0028 2.7356 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
9.3564 4.4312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0724 6.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.7926 9.6259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6901 3.6855 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
4.7634 7.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4325 7.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4033 5.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1235 8.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7123 4.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4092 5.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4836 10.5770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7708 9.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6904 4.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0505 6.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3596 5.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1028 4.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9065 3.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1527 11.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4399 10.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7276 6.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9970 3.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3816 4.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0936 4.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7112 3.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0142 3.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7133 6.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3942 5.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3817 7.6772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2160 6.8975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8142 7.4432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9799 8.2228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7418 9.3714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5761 8.5917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1019 11.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9362 10.2859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5385 8.8432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2966 9.0895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3850 11.8950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6269 11.6487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8216 9.6726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9873 10.4522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9255 6.8589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5768 2.8840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7912 5.3432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9094 3.7224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2035 2.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2998 6.5249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 5.3242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1782 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 55 1 0 0 0 0
2 24 1 0 0 0 0
2 25 1 0 0 0 0
3 20 2 0 0 0 0
4 23 2 0 0 0 0
5 33 1 0 0 0 0
5 54 1 0 0 0 0
6 10 1 0 0 0 0
7 10 2 0 0 0 0
8 11 1 0 0 0 0
8 13 1 0 0 0 0
8 20 1 0 0 0 0
9 14 1 0 0 0 0
9 17 1 0 0 0 0
9 18 1 0 0 0 0
10 30 1 0 0 0 0
11 12 1 0 0 0 0
11 34 1 0 0 0 0
11 35 1 0 0 0 0
12 14 1 0 0 0 0
12 36 1 0 0 0 0
12 37 1 0 0 0 0
13 15 2 0 0 0 0
13 16 1 0 0 0 0
14 38 1 0 0 0 0
14 39 1 0 0 0 0
15 19 1 0 0 0 0
15 23 1 0 0 0 0
16 22 2 0 0 0 0
16 26 1 0 0 0 0
17 24 1 0 0 0 0
17 40 1 0 0 0 0
17 41 1 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 21 2 0 0 0 0
19 27 1 0 0 0 0
20 21 1 0 0 0 0
21 28 1 0 0 0 0
22 23 1 0 0 0 0
22 29 1 0 0 0 0
24 44 1 0 0 0 0
24 45 1 0 0 0 0
25 46 1 0 0 0 0
25 47 1 0 0 0 0
26 32 2 0 0 0 0
26 48 1 0 0 0 0
27 31 2 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 33 2 0 0 0 0
29 51 1 0 0 0 0
30 31 1 0 0 0 0
31 52 1 0 0 0 0
32 33 1 0 0 0 0
32 53 1 0 0 0 0
M CHG 2 6 -1 10 1
M END
$$$$