B3KW9B
-OEChem-04012120312D
40 43 0 0 0 0 0 0 0999 V2000
5.5878 -3.0912 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.3517 2.3311 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
10.0687 -2.2822 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.0687 -3.2822 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.0687 -1.2821 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.3028 2.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4007 2.0221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5388 -1.7822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4851 -1.4774 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4851 -3.0869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5878 -1.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2788 -0.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 -2.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5388 -2.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -2.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6607 1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3006 -0.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9479 0.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9916 0.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6389 1.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0687 -2.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -1.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -3.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0427 3.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0687 -2.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -1.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -3.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8858 -0.7749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5544 0.0922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3852 0.7658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0537 1.6329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8100 -0.8792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8100 -3.6851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6324 3.4737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8511 3.8718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4530 3.0906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1900 -0.8792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1900 -3.6851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 -2.2822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
1 14 1 0 0 0 0
2 6 2 0 0 0 0
2 7 2 0 0 0 0
2 16 1 0 0 0 0
2 24 1 0 0 0 0
3 25 1 0 0 0 0
4 25 1 0 0 0 0
5 25 1 0 0 0 0
8 9 1 0 0 0 0
8 11 1 0 0 0 0
8 14 1 0 0 0 0
9 21 2 0 0 0 0
10 14 2 0 0 0 0
10 21 1 0 0 0 0
11 12 1 0 0 0 0
11 13 2 0 0 0 0
12 17 2 0 0 0 0
12 18 1 0 0 0 0
13 15 1 0 0 0 0
15 22 2 0 0 0 0
15 23 1 0 0 0 0
16 19 2 0 0 0 0
16 20 1 0 0 0 0
17 19 1 0 0 0 0
17 29 1 0 0 0 0
18 20 2 0 0 0 0
18 30 1 0 0 0 0
19 31 1 0 0 0 0
20 32 1 0 0 0 0
21 25 1 0 0 0 0
22 26 1 0 0 0 0
22 33 1 0 0 0 0
23 27 2 0 0 0 0
23 34 1 0 0 0 0
24 35 1 0 0 0 0
24 36 1 0 0 0 0
24 37 1 0 0 0 0
26 28 2 0 0 0 0
26 38 1 0 0 0 0
27 28 1 0 0 0 0
27 39 1 0 0 0 0
28 40 1 0 0 0 0
M END
$$$$