HMDB0246026
     RDKit          3D
3,4-Dichloroisocoumarin
 17 18  0  0  0  0  0  0  0  0999 V2000
    0.8827    2.9065   -0.0399 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1177    1.6605   -0.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3276    1.1758   -0.1353 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6083   -0.0966   -0.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2664   -0.6938   -0.2611 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5678   -0.9898   -0.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8653   -2.7032   -0.1252 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2579   -0.5355   -0.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8168   -1.3992    0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1212   -0.9606    0.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3457    0.4004    0.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2779    1.2965    0.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0267    0.8255    0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6159   -2.4607    0.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9780   -1.6185    0.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3352    0.8247    0.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4298    2.3678    0.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  2  1  0
 13  8  1  0
  9 14  1  0
 10 15  1  0
 11 16  1  0
 12 17  1  0
M  END