BV76WL
-OEChem-04012120012D
49 53 0 0 0 0 0 0 0999 V2000
2.9180 1.7426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6501 1.7426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5325 -1.7920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7841 -1.7574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7841 1.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6501 0.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6501 -0.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7841 3.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9180 0.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9180 2.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6501 2.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8001 4.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5440 1.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7841 -0.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9180 -0.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5440 -0.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0080 3.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5601 3.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4501 0.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4501 -0.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9021 4.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 4.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5681 4.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3926 -2.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3811 -3.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2413 -3.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2297 -4.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1130 -3.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3811 1.0526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5368 1.8972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3811 -0.5674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4747 2.9332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0934 2.9332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9858 1.0755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9858 -0.5903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9045 5.4318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6587 5.4318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4619 4.5990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1062 4.5990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0019 -2.4167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6114 -1.7219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8406 -3.6057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6098 -4.8047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2225 -5.4318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8497 -4.8190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4168 -3.8624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6535 -3.0182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8092 -2.7815 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 16 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 13 1 0 0 0 0
7 14 1 0 0 0 0
7 16 1 0 0 0 0
8 10 1 0 0 0 0
8 11 1 0 0 0 0
8 12 2 0 0 0 0
9 15 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 21 1 0 0 0 0
12 22 1 0 0 0 0
13 19 2 0 0 0 0
13 31 1 0 0 0 0
14 15 1 0 0 0 0
15 32 1 0 0 0 0
16 20 2 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 2 0 0 0 0
26 43 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
28 44 1 0 0 0 0
28 45 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
$$$$