BRCJ26
-OEChem-04022101052D
47 47 0 1 0 0 0 0 0999 V2000
8.9282 -0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.9282 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4516 -2.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8501 -2.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5388 -2.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1403 -2.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5856 -0.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9841 -1.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3176 -3.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7162 -4.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4048 -4.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0063 -3.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7196 0.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1181 0.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9407 1.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5422 2.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1742 -5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4142 -5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 3.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 3.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 2.8081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6 1 1 1 0 0 0
1 37 1 0 0 0 0
2 10 2 0 0 0 0
3 20 1 0 0 0 0
3 21 1 0 0 0 0
4 18 1 0 0 0 0
4 44 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 22 1 0 0 0 0
5 23 1 0 0 0 0
6 8 1 0 0 0 0
6 24 1 0 0 0 0
7 9 1 0 0 0 0
7 25 1 0 0 0 0
7 26 1 0 0 0 0
8 10 1 0 0 0 0
8 27 1 0 0 0 0
8 28 1 0 0 0 0
9 11 1 0 0 0 0
9 29 1 0 0 0 0
9 30 1 0 0 0 0
10 12 1 0 0 0 0
11 15 1 0 0 0 0
11 31 1 0 0 0 0
11 32 1 0 0 0 0
12 13 1 0 0 0 0
12 33 1 0 0 0 0
12 34 1 0 0 0 0
13 14 1 0 0 0 0
13 35 1 0 0 0 0
13 36 1 0 0 0 0
14 16 2 0 0 0 0
14 17 1 0 0 0 0
15 38 1 0 0 0 0
15 39 1 0 0 0 0
15 40 1 0 0 0 0
16 18 1 0 0 0 0
16 41 1 0 0 0 0
17 19 2 0 0 0 0
17 42 1 0 0 0 0
18 20 2 0 0 0 0
19 20 1 0 0 0 0
19 43 1 0 0 0 0
21 45 1 0 0 0 0
21 46 1 0 0 0 0
21 47 1 0 0 0 0
M END
$$$$