D0D3AI
-OEChem-10121500342D
31 30 0 1 0 0 0 0 0999 V2000
2.8660 -3.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.9400 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
7.1962 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.4400 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
3.7320 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.5600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 -0.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 -0.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 0.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3860 1.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9875 0.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -3.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -4.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0 0 0 0
1 16 1 0 0 0 0
2 14 2 0 0 0 0
3 9 1 0 0 0 0
4 9 2 0 0 0 0
12 5 1 6 0 0 0
5 24 1 0 0 0 0
5 25 1 0 0 0 0
6 13 1 0 0 0 0
6 15 2 0 0 0 0
7 9 1 0 0 0 0
7 15 1 0 0 0 0
7 29 1 0 0 0 0
8 15 1 0 0 0 0
8 30 1 0 0 0 0
8 31 1 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
10 17 1 0 0 0 0
10 18 1 0 0 0 0
11 13 1 0 0 0 0
11 19 1 0 0 0 0
11 20 1 0 0 0 0
12 14 1 0 0 0 0
12 21 1 0 0 0 0
13 22 1 0 0 0 0
13 23 1 0 0 0 0
16 26 1 0 0 0 0
16 27 1 0 0 0 0
16 28 1 0 0 0 0
M CHG 2 3 -1 9 1
M END
$$$$