B4IPS1
-OEChem-04012117212D
42 45 0 1 0 0 0 0 0999 V2000
7.4714 -0.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9271 1.7331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6591 2.7331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9396 -1.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8751 -1.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8831 -0.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0084 -0.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9562 0.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7931 0.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4430 -2.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4430 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6591 -0.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7771 -1.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5251 0.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5251 1.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4714 1.5378 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.6752 -1.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7931 1.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0550 0.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6591 1.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7820 2.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3900 -1.2118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7864 -1.9047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8038 0.3476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3967 -0.3390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3645 0.7569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5663 0.7723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9048 -2.4251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1350 -3.2712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9811 -3.0410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9072 -3.0413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7550 -3.2649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9787 -2.4171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7795 -2.4562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0838 1.6340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2157 -1.6122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5158 0.3183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5158 1.1478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3713 2.2957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9746 3.0776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1927 2.6809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0 0 0 0
1 20 1 0 0 0 0
2 19 2 0 0 0 0
3 21 2 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 11 1 0 0 0 0
4 12 1 0 0 0 0
5 8 1 0 0 0 0
5 23 1 0 0 0 0
5 24 1 0 0 0 0
6 7 2 0 0 0 0
6 14 1 0 0 0 0
7 9 1 0 0 0 0
7 10 1 0 0 0 0
8 9 1 0 0 0 0
8 25 1 0 0 0 0
8 26 1 0 0 0 0
9 27 1 0 0 0 0
9 28 1 0 0 0 0
10 13 2 0 0 0 0
10 19 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
11 31 1 0 0 0 0
12 32 1 0 0 0 0
12 33 1 0 0 0 0
12 34 1 0 0 0 0
13 15 1 0 0 0 0
13 18 1 0 0 0 0
14 18 2 0 0 0 0
14 35 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
16 21 1 0 0 0 0
17 20 1 0 0 0 0
17 22 1 1 0 0 0
17 36 1 0 0 0 0
18 37 1 0 0 0 0
19 21 1 0 0 0 0
20 38 1 0 0 0 0
20 39 1 0 0 0 0
22 40 1 0 0 0 0
22 41 1 0 0 0 0
22 42 1 0 0 0 0
M END
$$$$