BAH72I
-OEChem-04012113252D
52 55 0 1 0 0 0 0 0999 V2000
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6.3301 -0.7500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
7.1962 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0622 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2500 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
3.7320 -2.2500 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
3.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.7500 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
2.0000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.2500 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
3.7320 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.2500 0.0000 C 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
6.6592 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2742 -2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6728 -1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7196 -1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1181 -2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6728 -0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2742 -0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5947 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7976 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6592 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 -2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 -1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 2 0 0 0 0
2 9 1 0 0 0 0
2 11 1 0 0 0 0
2 12 1 0 0 0 0
7 3 1 1 0 0 0
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27 28 1 0 0 0 0
27 51 1 0 0 0 0
28 52 1 0 0 0 0
M END
$$$$