B80XLB
-OEChem-04012115552D
40 44 0 0 0 0 0 0 0999 V2000
5.2946 2.6040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2784 -1.9174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7486 -1.4175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6698 1.3264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2409 2.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2409 1.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1069 2.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2946 0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9729 2.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1069 0.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7110 1.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9729 1.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9840 0.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0908 3.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8829 2.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0055 -0.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6948 -1.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6948 -2.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9889 4.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7443 -2.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8910 3.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9010 -3.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1567 -4.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2062 -4.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3376 0.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1020 3.1933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1069 0.1793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0910 1.7993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5099 0.9893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3980 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5504 4.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4162 2.4899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9865 4.9885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8984 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4291 4.1556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4904 -3.8933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4107 -2.8868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2846 -4.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7448 -4.4719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 11 1 0 0 0 0
1 27 1 0 0 0 0
2 17 1 0 0 0 0
2 18 1 0 0 0 0
2 35 1 0 0 0 0
3 17 2 0 0 0 0
3 20 1 0 0 0 0
4 26 3 0 0 0 0
5 6 2 0 0 0 0
5 7 1 0 0 0 0
6 8 1 0 0 0 0
6 10 1 0 0 0 0
7 9 1 0 0 0 0
7 14 2 0 0 0 0
8 11 2 0 0 0 0
8 13 1 0 0 0 0
9 12 1 0 0 0 0
9 15 2 0 0 0 0
10 12 2 0 0 0 0
10 28 1 0 0 0 0
11 29 1 0 0 0 0
12 30 1 0 0 0 0
13 16 2 0 0 0 0
13 31 1 0 0 0 0
14 19 1 0 0 0 0
14 32 1 0 0 0 0
15 21 1 0 0 0 0
15 33 1 0 0 0 0
16 17 1 0 0 0 0
16 26 1 0 0 0 0
18 20 1 0 0 0 0
18 22 2 0 0 0 0
19 21 2 0 0 0 0
19 34 1 0 0 0 0
20 23 2 0 0 0 0
21 36 1 0 0 0 0
22 24 1 0 0 0 0
22 37 1 0 0 0 0
23 25 1 0 0 0 0
23 38 1 0 0 0 0
24 25 2 0 0 0 0
24 39 1 0 0 0 0
25 40 1 0 0 0 0
M END
$$$$