BBI25Z
-OEChem-04022102292D
45 46 0 1 0 0 0 0 0999 V2000
4.0010 6.6200 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
0.5369 8.6200 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 9.6200 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.3671 5.3590 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 3.9930 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.3671 3.6270 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 4.4930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 5.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 3.6200 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
0.5369 5.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1350 2.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 1.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 5.6200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.4030 5.1200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.1350 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1350 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1350 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1350 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 8.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1350 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 4.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 4.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8059 5.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 5.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7456 5.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3471 5.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7924 4.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1909 3.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3471 3.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7456 4.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5369 6.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6720 8.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6720 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1360 4.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 20 1 0 0 0 0
2 22 1 0 0 0 0
3 25 1 0 0 0 0
4 28 1 0 0 0 0
5 28 1 0 0 0 0
6 28 1 0 0 0 0
7 29 1 0 0 0 0
7 45 1 0 0 0 0
8 29 2 0 0 0 0
9 16 1 0 0 0 0
9 17 1 0 0 0 0
9 19 1 0 0 0 0
14 10 1 6 0 0 0
10 38 1 0 0 0 0
10 39 1 0 0 0 0
11 19 2 0 0 0 0
11 26 1 0 0 0 0
12 24 2 0 0 0 0
12 27 1 0 0 0 0
13 14 1 0 0 0 0
13 15 1 0 0 0 0
13 18 1 1 0 0 0
13 30 1 0 0 0 0
14 16 1 0 0 0 0
14 31 1 0 0 0 0
15 17 1 0 0 0 0
15 32 1 0 0 0 0
15 33 1 0 0 0 0
16 34 1 0 0 0 0
16 35 1 0 0 0 0
17 36 1 0 0 0 0
17 37 1 0 0 0 0
18 20 1 0 0 0 0
18 21 2 0 0 0 0
19 24 1 0 0 0 0
20 23 2 0 0 0 0
21 22 1 0 0 0 0
21 40 1 0 0 0 0
22 25 2 0 0 0 0
23 25 1 0 0 0 0
23 41 1 0 0 0 0
24 42 1 0 0 0 0
26 27 2 0 0 0 0
26 43 1 0 0 0 0
27 44 1 0 0 0 0
28 29 1 0 0 0 0
M END
$$$$