BO5EA2
-OEChem-04012117572D
49 52 0 0 0 0 0 0 0999 V2000
3.0000 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7320 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -4.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7320 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3301 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8301 5.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -5.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7320 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4906 4.1511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4378 4.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9127 4.9620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3051 6.0146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3552 6.0146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8395 -4.1511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8923 -4.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4174 -4.9620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0250 -6.0146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9750 -6.0146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2520 4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8535 4.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4030 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0010 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1951 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0010 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0010 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1951 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0010 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6401 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8671 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0201 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 2 0 0 0 0
2 14 2 0 0 0 0
3 9 1 0 0 0 0
3 13 1 0 0 0 0
3 39 1 0 0 0 0
4 12 1 0 0 0 0
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26 48 1 0 0 0 0
26 49 1 0 0 0 0
M END
$$$$