B2GIV6
-OEChem-04022101392D
52 55 0 0 0 0 0 0 0999 V2000
8.6236 3.1238 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.2114 3.2003 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.1349 1.7882 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -1.7003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -3.2003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9473 -0.3956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.5309 -1.2003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9473 -2.0050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2579 0.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5309 -1.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2364 0.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5471 1.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0309 -2.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9043 0.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0309 -2.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5256 1.9179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8792 2.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8828 0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1934 1.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5309 -2.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5309 -1.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -2.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0309 -2.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5309 -2.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5309 -1.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0309 -2.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2374 1.1746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6441 0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8409 -0.6634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.4197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4483 -2.2784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1385 -2.6769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.8203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7117 -0.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.3903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7182 2.5072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2968 -0.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8001 1.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2209 -3.4693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2209 -0.6634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8409 -3.4693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8409 -0.6634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0309 -2.6863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6509 -2.0663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0309 -1.4463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0 0 0 0
2 23 1 0 0 0 0
3 23 1 0 0 0 0
4 28 1 0 0 0 0
4 52 1 0 0 0 0
5 28 2 0 0 0 0
6 9 1 0 0 0 0
6 10 1 0 0 0 0
6 11 1 0 0 0 0
7 11 1 0 0 0 0
7 16 1 0 0 0 0
7 35 1 0 0 0 0
8 11 2 0 0 0 0
8 12 1 0 0 0 0
9 13 1 0 0 0 0
9 33 1 0 0 0 0
9 34 1 0 0 0 0
10 12 2 0 0 0 0
10 14 1 0 0 0 0
12 17 1 0 0 0 0
13 15 1 0 0 0 0
13 19 2 0 0 0 0
14 20 2 0 0 0 0
14 36 1 0 0 0 0
15 22 2 0 0 0 0
15 23 1 0 0 0 0
16 21 1 0 0 0 0
16 37 1 0 0 0 0
16 38 1 0 0 0 0
17 18 2 0 0 0 0
17 39 1 0 0 0 0
18 20 1 0 0 0 0
18 28 1 0 0 0 0
19 24 1 0 0 0 0
19 40 1 0 0 0 0
20 41 1 0 0 0 0
21 26 2 0 0 0 0
21 27 1 0 0 0 0
22 25 1 0 0 0 0
22 42 1 0 0 0 0
24 25 2 0 0 0 0
24 43 1 0 0 0 0
25 44 1 0 0 0 0
26 30 1 0 0 0 0
26 45 1 0 0 0 0
27 31 2 0 0 0 0
27 46 1 0 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
29 32 1 0 0 0 0
30 47 1 0 0 0 0
31 48 1 0 0 0 0
32 49 1 0 0 0 0
32 50 1 0 0 0 0
32 51 1 0 0 0 0
M END
$$$$