view test-data/split_1.sdf @ 2:8161c08627bf draft

"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/sucos commit 6f1ee2812cca091561a2b2e464498dae2f913b8d"
author bgruening
date Thu, 19 Mar 2020 07:13:36 -0400
parents f8f53668d5a2
children
line wrap: on
line source


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$$$$

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$$$$

     RDKit          3D

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M  END
$$$$

     RDKit          3D

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M  END
$$$$

     RDKit          3D

 10 10  0  0  0  0  0  0  0  0999 V2000
   24.4730   11.1990   19.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5530   12.0600   20.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9840   11.0460   18.5670 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8330   10.4330   20.9970 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1360   12.7690   19.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5550   11.7420   17.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3160   10.6870   21.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6290   12.6010   17.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6740   10.0940   22.2270 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.1850   13.2880   16.6940 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  1  1  0
  4  1  1  0
  5  2  1  0
  6  3  2  0
  7  4  1  0
  8  6  1  0
  8  5  2  0
  9  7  1  0
 10  8  1  0
M  END
$$$$