BG1XI2
-OEChem-04022106322D
53 55 0 1 0 0 0 0 0999 V2000
5.1350 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -3.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 -3.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.2690 -1.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.0010 -1.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.2690 -0.6550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.0010 -0.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4030 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8015 0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0044 0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8681 1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7341 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7341 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8681 -3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0 0 0 0
1 15 1 0 0 0 0
15 2 1 1 0 0 0
2 17 1 0 0 0 0
11 3 1 1 0 0 0
3 39 1 0 0 0 0
12 4 1 6 0 0 0
4 40 1 0 0 0 0
13 5 1 1 0 0 0
5 41 1 0 0 0 0
6 16 1 0 0 0 0
6 42 1 0 0 0 0
7 20 1 0 0 0 0
7 46 1 0 0 0 0
8 21 1 0 0 0 0
8 47 1 0 0 0 0
9 22 2 0 0 0 0
10 31 1 0 0 0 0
10 53 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
11 32 1 0 0 0 0
12 14 1 0 0 0 0
12 33 1 0 0 0 0
13 15 1 0 0 0 0
13 34 1 0 0 0 0
14 16 1 6 0 0 0
14 35 1 0 0 0 0
15 36 1 0 0 0 0
16 37 1 0 0 0 0
16 38 1 0 0 0 0
17 18 1 0 0 0 0
17 19 2 0 0 0 0
18 20 2 0 0 0 0
18 22 1 0 0 0 0
19 21 1 0 0 0 0
19 43 1 0 0 0 0
20 23 1 0 0 0 0
21 23 2 0 0 0 0
22 24 1 0 0 0 0
23 44 1 0 0 0 0
24 25 2 0 0 0 0
24 45 1 0 0 0 0
25 26 1 0 0 0 0
25 48 1 0 0 0 0
26 27 2 0 0 0 0
26 28 1 0 0 0 0
27 29 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 31 2 0 0 0 0
29 51 1 0 0 0 0
30 31 1 0 0 0 0
30 52 1 0 0 0 0
M END
$$$$