B3FA4M
-OEChem-04012114323D
47 50 0 0 0 0 0 0 0999 V2000
2.0802 1.1918 -0.7558 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3925 1.6960 -0.1033 O 0 0 0 0 0 0 0 0 0 0 0 0
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7.8013 -1.5496 0.4108 N 0 0 0 0 0 0 0 0 0 0 0 0
9.1061 -1.6872 0.7018 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.2841 -0.2506 -0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.5482 -0.3539 -0.5556 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0142 0.1184 0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4722 0.8417 0.2843 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.1042 0.7901 0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.3768 -0.2537 0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3786 0.8371 -0.4764 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2379 -0.6809 -0.7507 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4726 1.2771 0.6452 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.1548 1.6365 0.3628 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1689 0.1449 -1.0182 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3738 1.0264 0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.2144 0.5829 -0.5886 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4806 0.5096 0.6733 C 0 0 0 0 0 0 0 0 0 0 0 0
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-4.8557 1.7406 0.7593 H 0 0 0 0 0 0 0 0 0 0 0 0
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5.6361 -1.5806 -1.2132 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0537 1.9142 1.3074 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8509 -1.2737 -1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3572 -0.9541 -1.7132 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7372 2.5393 0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4017 -0.7631 -0.4468 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1528 -0.0733 -2.0917 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8803 1.9579 -0.0426 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9141 -2.3344 0.6331 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5412 1.5865 0.7396 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2617 -2.3919 0.2527 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2663 2.0301 0.4533 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3093 -2.2210 1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5036 -0.0483 1.0026 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5516 -0.2408 1.1066 H 0 0 0 0 0 0 0 0 0 0 0 0
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27 46 1 0 0 0 0
28 47 1 0 0 0 0
M END
$$$$