B9Q1KN
-OEChem-04022101092D
47 49 0 0 0 0 0 0 0999 V2000
3.7320 2.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
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4.7320 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7320 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 3.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 3.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 3.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 3.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 4.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 5.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 5.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 4.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -3.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 4 2 0 0 0 0
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2 11 1 0 0 0 0
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7 17 1 0 0 0 0
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21 22 2 0 0 0 0
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25 26 1 0 0 0 0
25 46 1 0 0 0 0
26 47 1 0 0 0 0
M END
$$$$