view test-data/select_points_output_v3000.sdf @ 7:7e5c2e4bc227 draft default tip

"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
author bgruening
date Tue, 28 Jul 2020 08:44:40 -0400
parents 744a777e9f90
children
line wrap: on
line source

Frankenstein ligand
00000000000000000000 3D
Created in Galaxy
 43  0  0  0  0  0  0  0  0  0999 V2000
    9.8790   -5.4960   26.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1910   -5.0190   26.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4340   -3.4430   27.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4960   -3.4980   24.5920 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5680   -1.8260   23.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9060   -1.4610   22.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2770    0.3180   23.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0390    0.0410   23.9830 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5220    5.3850   22.9640 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4660    6.3160   24.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0740    5.3880   23.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1760    3.3750   22.9180 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1390    2.4870   24.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7690   -1.8980   21.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2630   -0.1570   21.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1560   -0.2070   20.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7670    0.2590   17.8050 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1890    0.9760   19.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5280    0.5220   21.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1620    4.6860   25.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9400   -0.0330   27.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1320    0.2510   25.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8590    3.5410   30.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750   -1.8280   28.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5170    1.3480   30.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9910    0.4280   28.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8910   -1.7080   26.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5080    2.5200   29.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5820   -2.7550   24.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0170    1.3310   24.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1930    2.3160   22.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9740    3.1250   23.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6450    4.8530   25.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7660    3.1150   23.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3930   -0.3170   23.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4350   -1.7070   23.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3170    3.0110   22.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8240    1.0110   23.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4350   -0.4970   23.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9560    1.4220   21.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9550   -5.4170   24.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5010   -5.7070   24.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5720    0.7280   25.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
M  END
$$$$