B91QST
-OEChem-04022106242D
48 49 0 0 0 0 0 0 0999 V2000
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4.5981 -3.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 5.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -6.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -6.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -6.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -6.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 5.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -7.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -6.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0201 -7.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -6.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6401 -6.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -4.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -5.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2742 3.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6728 4.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 6.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 5.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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27 45 1 0 0 0 0
M END
$$$$