BG3U9D
-OEChem-04022101062D
47 50 0 1 0 0 0 0 0999 V2000
6.7619 2.9450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3551 0.2994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 2.0790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.8779 -0.2765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 1.2130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.9643 0.1303 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.7564 1.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0983 -0.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 2.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 1.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 2.8837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9824 -1.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8959 -1.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0005 -2.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7049 -1.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9140 -3.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6185 -1.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7230 -2.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1427 1.1805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9968 -0.4889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3730 1.1732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7564 1.7284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6375 -0.7846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4627 -0.8713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7487 0.1705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3794 0.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4272 0.7073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2156 0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2156 3.1929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4272 3.4506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3639 -1.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8324 -1.8726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.4590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.6990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 2.8890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4989 -3.0367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6401 -0.4733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9788 -3.6956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1201 -1.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2894 -2.7434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 2 0 0 0 0
2 5 1 0 0 0 0
2 8 1 0 0 0 0
2 31 1 0 0 0 0
3 9 1 0 0 0 0
3 10 1 0 0 0 0
3 11 1 0 0 0 0
6 4 1 6 0 0 0
4 14 1 0 0 0 0
4 32 1 0 0 0 0
5 7 1 0 0 0 0
5 9 1 6 0 0 0
5 25 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 26 1 0 0 0 0
7 27 1 0 0 0 0
7 28 1 0 0 0 0
8 29 1 0 0 0 0
8 30 1 0 0 0 0
10 12 1 0 0 0 0
10 33 1 0 0 0 0
10 34 1 0 0 0 0
11 13 1 0 0 0 0
11 35 1 0 0 0 0
11 36 1 0 0 0 0
12 13 1 0 0 0 0
12 15 2 0 0 0 0
13 16 2 0 0 0 0
14 17 1 0 0 0 0
14 37 1 0 0 0 0
14 38 1 0 0 0 0
15 18 1 0 0 0 0
15 39 1 0 0 0 0
16 19 1 0 0 0 0
16 40 1 0 0 0 0
17 20 2 0 0 0 0
17 21 1 0 0 0 0
18 19 2 0 0 0 0
18 41 1 0 0 0 0
19 42 1 0 0 0 0
20 22 1 0 0 0 0
20 43 1 0 0 0 0
21 23 2 0 0 0 0
21 44 1 0 0 0 0
22 24 2 0 0 0 0
22 45 1 0 0 0 0
23 24 1 0 0 0 0
23 46 1 0 0 0 0
24 47 1 0 0 0 0
M END
$$$$