B2VLQ4
-OEChem-04012113463D
52 55 0 1 0 0 0 0 0999 V2000
-0.3288 -2.8421 1.4113 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4603 0.9204 -0.6458 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3085 1.6495 0.0813 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0399 -0.6217 0.7649 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6424 4.9785 1.7369 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7708 0.6941 -0.0292 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9312 -0.7926 2.1820 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2828 4.0209 0.6927 C 0 0 1 0 0 0 0 0 0 0 0 0
1.0171 4.3462 -0.6157 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6045 2.5953 1.1579 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7051 3.2963 -1.6826 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0080 1.8870 -1.1795 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5019 0.5821 0.2642 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4656 -0.7012 1.0803 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7397 -1.7687 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6226 -0.4014 0.1544 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.9787 -0.2622 -0.1644 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0505 -2.7010 0.8146 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6570 -1.2972 -0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8626 -1.3293 0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3982 -2.5478 0.4927 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.3785 -1.7197 -1.1333 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3299 -1.8523 -2.4071 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7148 -1.9972 -2.3285 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3610 -1.0185 1.1978 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4487 1.0946 -2.0602 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7969 4.1017 0.5131 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.7227 5.3375 -0.9805 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6636 2.5131 1.4332 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0183 2.3498 2.0526 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3552 3.3667 -1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2873 3.5012 -2.5878 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6903 1.1705 -1.9446 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0871 1.7631 -1.0329 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6428 4.9249 1.9256 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1776 4.7263 2.6084 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5990 -1.4240 1.8946 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8345 0.2617 1.4382 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7075 -3.6591 1.1949 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9145 -1.2163 -0.2448 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0857 -3.3784 0.6235 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5365 -1.3458 -1.4257 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4587 -1.8378 -1.0893 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8140 -2.0695 -3.3379 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2764 -2.3263 -3.1979 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4283 1.0301 -2.4509 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8465 2.0877 -2.2864 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0836 0.3456 -2.5439 H 0 0 0 0 0 0 0 0 0 0 0 0
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27 49 1 0 0 0 0
29 50 1 0 0 0 0
29 51 1 0 0 0 0
29 52 1 0 0 0 0
M END
$$$$