BQ1B8X
-OEChem-04012116372D
39 44 0 1 0 0 0 0 0999 V2000
2.6575 0.4224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9486 -0.5386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9283 2.7408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4061 3.3784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5152 -1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5152 -3.3656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0369 -2.0400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9546 -0.5262 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.9430 -1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8369 -2.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4670 0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2691 0.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8369 -3.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5830 1.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7030 -1.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5012 2.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1873 0.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5690 -2.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7030 -3.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5690 -3.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3033 1.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9430 -3.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0369 -3.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4360 3.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0988 -2.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8152 -0.2324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4082 -1.0090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1848 -1.4161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7030 -0.9408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6846 0.4283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7030 -4.1808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8726 2.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9502 -4.2154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5012 -3.3937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6342 4.1829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8727 3.8544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5597 -2.9756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5597 -2.1461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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3 15 1 0 0 0 0
3 25 1 0 0 0 0
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13 29 1 0 0 0 0
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17 22 1 0 0 0 0
18 22 2 0 0 0 0
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22 33 1 0 0 0 0
23 24 2 0 0 0 0
23 34 1 0 0 0 0
24 35 1 0 0 0 0
25 36 1 0 0 0 0
25 37 1 0 0 0 0
26 38 1 0 0 0 0
26 39 1 0 0 0 0
M END
$$$$