BXZ1N3
-OEChem-04022109112D
43 45 0 1 0 0 0 0 0999 V2000
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2.9176 -0.7175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -0.2521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 2.2479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -0.2521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.1092 2.2177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -3.7521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2071 2.8357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.8981 3.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8981 3.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5891 2.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 1.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 0.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1582 2.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -1.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -2.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -3.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -1.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -2.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -3.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -3.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0574 -0.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3041 2.2233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5045 3.9157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8333 4.4034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9629 4.4034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2916 3.9157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0227 3.0879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2791 2.2988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3200 1.3305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9215 0.6402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0690 -0.5621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0690 -1.9421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 -4.4067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -1.9192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0690 -3.5621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -3.5850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3736 0.3258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5241 0.1087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7413 -0.7408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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9 10 1 0 0 0 0
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9 28 1 0 0 0 0
10 11 1 0 0 0 0
10 29 1 0 0 0 0
10 30 1 0 0 0 0
11 31 1 0 0 0 0
11 32 1 0 0 0 0
12 13 1 0 0 0 0
13 33 1 0 0 0 0
13 34 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
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20 23 2 0 0 0 0
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23 39 1 0 0 0 0
24 40 1 0 0 0 0
25 41 1 0 0 0 0
25 42 1 0 0 0 0
25 43 1 0 0 0 0
M END
$$$$