B7FYL9
-OEChem-04012114132D
51 51 0 1 0 0 0 0 0999 V2000
4.2690 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -5.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -4.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4030 -3.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1350 -3.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.4030 -2.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1350 -2.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5369 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.1350 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0632 4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9292 4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7953 5.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8059 -4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 -3.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9264 -1.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3249 -2.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5380 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -5.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -4.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5244 -0.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9230 -1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4040 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7456 0.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3471 0.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2700 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1053 4.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3322 5.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4853 5.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 1 0 0 0 0
1 12 1 0 0 0 0
12 2 1 1 0 0 0
2 14 1 0 0 0 0
8 3 1 1 0 0 0
3 36 1 0 0 0 0
9 4 1 6 0 0 0
4 37 1 0 0 0 0
10 5 1 6 0 0 0
5 38 1 0 0 0 0
6 13 1 0 0 0 0
6 42 1 0 0 0 0
7 17 1 0 0 0 0
7 46 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 28 1 0 0 0 0
9 11 1 0 0 0 0
9 29 1 0 0 0 0
10 12 1 0 0 0 0
10 30 1 0 0 0 0
11 13 1 1 0 0 0
11 31 1 0 0 0 0
12 32 1 0 0 0 0
13 33 1 0 0 0 0
13 34 1 0 0 0 0
14 15 1 0 0 0 0
14 16 1 0 0 0 0
14 35 1 0 0 0 0
15 17 1 0 0 0 0
15 39 1 0 0 0 0
15 40 1 0 0 0 0
16 18 2 0 0 0 0
16 41 1 0 0 0 0
17 43 1 0 0 0 0
17 44 1 0 0 0 0
18 19 1 0 0 0 0
18 45 1 0 0 0 0
19 20 2 0 0 0 0
19 47 1 0 0 0 0
20 21 1 0 0 0 0
20 48 1 0 0 0 0
21 22 3 0 0 0 0
22 23 1 0 0 0 0
23 24 3 0 0 0 0
24 25 1 0 0 0 0
25 26 3 0 0 0 0
26 27 1 0 0 0 0
27 49 1 0 0 0 0
27 50 1 0 0 0 0
27 51 1 0 0 0 0
M END
$$$$