BDEC18
-OEChem-04012112442D
52 57 0 0 0 0 0 0 0999 V2000
4.6501 1.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9180 1.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5325 -1.5370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7841 -1.5024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7841 1.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6501 0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6501 -0.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7841 3.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9180 0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6501 2.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9180 2.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5440 1.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5440 -0.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7680 4.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7841 -0.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9180 -0.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5601 3.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0080 3.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4501 1.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4501 -0.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 5.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9021 5.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5681 4.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3926 -2.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3811 -3.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2413 -3.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2297 -4.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1130 -3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0899 -5.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9732 -3.5770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9616 -4.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3811 1.3076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5368 2.1522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3811 -0.3124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0934 3.1882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4747 3.1882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9858 1.3304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9858 -0.3353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6636 5.6868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9094 5.6868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1062 4.8539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4619 4.8539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0019 -2.1617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6114 -1.4669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7718 -2.9322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1623 -3.6271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6892 -4.8606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1202 -2.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0827 -5.6868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5137 -3.2732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4950 -4.8931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 10 1 0 0 0 0
2 5 1 0 0 0 0
2 11 1 0 0 0 0
3 13 1 0 0 0 0
3 25 1 0 0 0 0
4 15 2 0 0 0 0
5 6 1 0 0 0 0
5 9 1 0 0 0 0
6 7 2 0 0 0 0
6 12 1 0 0 0 0
7 13 1 0 0 0 0
7 15 1 0 0 0 0
8 10 1 0 0 0 0
8 11 1 0 0 0 0
8 14 2 0 0 0 0
9 16 2 0 0 0 0
9 33 1 0 0 0 0
10 17 2 0 0 0 0
11 18 2 0 0 0 0
12 19 2 0 0 0 0
12 34 1 0 0 0 0
13 20 2 0 0 0 0
14 21 1 0 0 0 0
14 22 1 0 0 0 0
15 16 1 0 0 0 0
16 35 1 0 0 0 0
17 23 1 0 0 0 0
17 36 1 0 0 0 0
18 24 1 0 0 0 0
18 37 1 0 0 0 0
19 20 1 0 0 0 0
19 38 1 0 0 0 0
20 39 1 0 0 0 0
21 23 2 0 0 0 0
21 40 1 0 0 0 0
22 24 2 0 0 0 0
22 41 1 0 0 0 0
23 42 1 0 0 0 0
24 43 1 0 0 0 0
25 26 1 0 0 0 0
25 44 1 0 0 0 0
25 45 1 0 0 0 0
26 27 1 0 0 0 0
26 46 1 0 0 0 0
26 47 1 0 0 0 0
27 28 2 0 0 0 0
27 29 1 0 0 0 0
28 30 1 0 0 0 0
28 48 1 0 0 0 0
29 31 2 0 0 0 0
29 49 1 0 0 0 0
30 32 2 0 0 0 0
30 50 1 0 0 0 0
31 32 1 0 0 0 0
31 51 1 0 0 0 0
32 52 1 0 0 0 0
M END
$$$$