BOPJ98
-OEChem-04012120012D
49 53 0 0 0 0 0 0 0999 V2000
2.9180 1.5526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6501 1.5526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5325 -1.9820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7841 -1.9474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7841 1.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6501 0.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6501 -0.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7841 3.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9180 0.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9180 2.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6501 2.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5440 1.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8001 4.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7841 -0.9474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5440 -0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9180 -0.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0080 3.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5601 3.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4501 0.5734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4501 -0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9021 4.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 4.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5681 4.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3926 -2.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3811 -3.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5093 -3.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2413 -4.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1130 -3.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3811 0.8626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5368 1.7072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3811 -0.7574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4747 2.7433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0934 2.7433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9858 0.8855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9858 -0.7803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9045 5.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6587 5.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4619 4.4090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1062 4.4090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0019 -2.6067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6114 -1.9119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2056 -3.4414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9688 -4.2856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8131 -4.5224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2341 -4.6218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4168 -4.0524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6535 -3.2082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8092 -2.9715 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 15 1 0 0 0 0
3 25 1 0 0 0 0
4 14 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 14 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 13 2 0 0 0 0
9 16 2 0 0 0 0
9 30 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 31 1 0 0 0 0
13 21 1 0 0 0 0
13 22 1 0 0 0 0
14 16 1 0 0 0 0
15 20 2 0 0 0 0
16 32 1 0 0 0 0
17 23 1 0 0 0 0
17 33 1 0 0 0 0
18 24 1 0 0 0 0
18 34 1 0 0 0 0
19 20 1 0 0 0 0
19 35 1 0 0 0 0
20 36 1 0 0 0 0
21 23 2 0 0 0 0
21 37 1 0 0 0 0
22 24 2 0 0 0 0
22 38 1 0 0 0 0
23 39 1 0 0 0 0
24 40 1 0 0 0 0
25 26 1 0 0 0 0
25 41 1 0 0 0 0
25 42 1 0 0 0 0
26 27 1 0 0 0 0
26 28 2 0 0 0 0
27 43 1 0 0 0 0
27 44 1 0 0 0 0
27 45 1 0 0 0 0
28 29 1 0 0 0 0
28 46 1 0 0 0 0
29 47 1 0 0 0 0
29 48 1 0 0 0 0
29 49 1 0 0 0 0
M END
$$$$