File: 1oir_conf.mol

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file content (70 lines) | stat: -rw-r--r-- 3,018 bytes parent folder | download | duplicates (20) 
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1oir
XXCombChem01180512423D                 0.00000

 31 34  0  0  0  0  0  0  0  0999 V2000
   -3.2400    0.6000    2.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9400   -0.4800    1.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8400   -0.6200    0.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7400    0.2800    0.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.2200   -0.1600 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.5600   -0.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8200    0.0400   -0.6400 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2800   -1.2600   -0.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200   -1.5400   -1.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0200   -2.8600   -1.6000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -3.9200   -1.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7600   -3.6400   -1.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3600   -2.3200   -0.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5400   -5.0800   -1.8200 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0200   -6.3200   -1.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1800   -6.9000   -3.3200 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5600   -6.9200   -3.7000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200   -8.3600   -3.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8800   -8.9600   -4.8000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4200  -10.3600   -4.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3200   -9.0000   -5.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4800    1.9000   -0.0800 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3200    2.4600    0.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8400    1.6800    0.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7600   -1.5200    0.9800 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000   -2.3000    0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0200   -1.7800   -0.3600 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2600   -2.4000   -1.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -3.6000   -1.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9400   -4.1600   -1.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7200   -3.5000   -0.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3 27  1  0  0  0  0
  3  4  1  0  0  0  0
  4 24  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 11 14  1  0  0  0  0
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 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
  6 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
  2 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 31  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END