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path: root/java/resources/smartsEvaluation/TEST_3.mol
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TEST_3
  -ISIS-            2D
Used JOELib chemistry kernel (expert systems) ID is 715333816
 17 19  0  0  0  0  0  0  0  0999V2000
    0.0021   -0.0041    0.0000 O  0  0  0  1  0  0  0  0  0  0  0  0
   -0.0144    1.2129    0.0000 C  0  0  0  1  0  0  0  0  0  0  0  0
    1.2363    1.9914    0.0000 C  0  0  0  1  0  0  0  0  0  0  0  0
   -1.1838    1.8973    0.0000 O  0  0  0  1  0  0  0  0  0  0  0  0
    1.1895    3.2632    0.0000 C  0  0  0  2  0  0  0  0  0  0  0  0
    2.4979    1.4237    0.0000 C  0  0  0  1  0  0  0  0  0  0  0  0
   -1.2660    3.0272    0.0000 C  0  0  0  1  0  0  0  0  0  0  0  0
   -0.0979    3.7491    0.0000 C  0  0  0  1  0  0  0  0  0  0  0  0
    2.6117    1.1165    0.0000 C  0  0  0  2  0  0  0  0  0  0  0  0
    3.5742    1.1891    0.0000 C  0  0  0  2  0  0  0  0  0  0  0  0
   -2.4855    3.4804    0.0000 C  0  0  0  2  0  0  0  0  0  0  0  0
   -0.1779    4.9167    0.0000 C  0  0  0  2  0  0  0  0  0  0  0  0
    3.7890    0.5876    0.0000 C  0  0  0  2  0  0  0  0  0  0  0  0
    4.7464    0.6598    0.0000 C  0  0  0  2  0  0  0  0  0  0  0  0
   -2.5381    4.6346    0.0000 C  0  0  0  2  0  0  0  0  0  0  0  0
   -1.3930    5.3460    0.0000 C  0  0  0  2  0  0  0  0  0  0  0  0
    4.8552    0.3624    0.0000 C  0  0  0  2  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  4  0  0  0  0
  6 10  4  0  0  0  0
  7 11  4  0  0  0  0
  7  8  4  0  0  0  0
  8 12  4  0  0  0  0
  9 13  4  0  0  0  0
 10 14  4  0  0  0  0
 11 15  4  0  0  0  0
 12 16  4  0  0  0  0
 13 17  4  0  0  0  0
 14 17  4  0  0  0  0
 15 16  4  0  0  0  0
M  END