D08NNF
-OEChem-10101305032D
37 40 0 0 0 0 0 0 0999 V2000
4.6660 -2.9398 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 0.5602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 0.5602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -0.9398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 1.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2392 2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8250 2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 2.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 0.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -1.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -1.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -2.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -2.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4260 -0.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -0.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4260 -2.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -2.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3321 -1.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3321 -2.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1049 1.3230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6776 1.8289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6776 2.7057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3866 2.7057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3866 1.8289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9705 3.4128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0936 3.4128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0690 0.2502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4188 -0.2852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 -0.2852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4188 -3.5944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 -3.5944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -1.1069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8678 -1.1069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8678 -2.7727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -2.7727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0 0 0 0
1 13 1 0 0 0 0
2 9 2 0 0 0 0
3 5 1 0 0 0 0
3 9 1 0 0 0 0
3 29 1 0 0 0 0
4 9 1 0 0 0 0
4 10 1 0 0 0 0
4 11 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 22 1 0 0 0 0
6 8 1 0 0 0 0
6 23 1 0 0 0 0
6 24 1 0 0 0 0
7 8 1 0 0 0 0
7 25 1 0 0 0 0
7 26 1 0 0 0 0
8 27 1 0 0 0 0
8 28 1 0 0 0 0
10 12 1 0 0 0 0
10 14 2 0 0 0 0
11 13 1 0 0 0 0
11 15 2 0 0 0 0
12 16 2 0 0 0 0
13 17 2 0 0 0 0
14 19 1 0 0 0 0
14 30 1 0 0 0 0
15 18 1 0 0 0 0
15 31 1 0 0 0 0
16 21 1 0 0 0 0
16 32 1 0 0 0 0
17 20 1 0 0 0 0
17 33 1 0 0 0 0
18 20 2 0 0 0 0
18 34 1 0 0 0 0
19 21 2 0 0 0 0
19 35 1 0 0 0 0
20 37 1 0 0 0 0
21 36 1 0 0 0 0
M END
$$$$