B2CQD1
-OEChem-04022105093D
48 49 0 1 0 0 0 0 0999 V2000
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0.4647 1.2536 -0.2598 N 0 0 0 0 0 0 0 0 0 0 0 0
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1.8101 1.5501 0.0641 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6116 -2.3571 0.1252 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4958 -1.9972 2.5115 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2013 -2.4264 1.3874 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8348 0.7158 -0.3822 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1113 2.6766 0.8297 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.1610 1.0080 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4373 2.9687 1.1489 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4621 2.1344 0.7026 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.9994 3.3190 -2.1927 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4401 3.4105 -3.2025 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.9564 -2.0479 3.4937 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2118 -2.8061 1.5148 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6199 -0.1576 -0.9888 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3751 3.3692 1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9591 0.3597 -0.4127 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6733 3.8455 1.7450 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4947 2.3621 0.9507 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3017 -1.5211 -2.4298 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3488 -1.9461 -3.4982 H 0 0 0 0 0 0 0 0 0 0 0 0
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27 46 1 0 0 0 0
M END
$$$$