HMDB0250139
     RDKit          3D
Chlorquinaldol
 21 22  0  0  0  0  0  0  0  0999 V2000
    3.2782    0.8318    0.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9116    0.2458    0.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7653   -1.0560   -0.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5526   -1.6697   -0.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5841   -0.8905   -0.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8432   -1.4396   -0.4658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9431   -3.1183   -0.9889 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9709   -0.6798   -0.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8254    0.6298    0.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2375    1.6480    0.4647 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5695    1.1694    0.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4074    2.5009    0.7645 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4270    0.4152    0.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8054    0.9767    0.3178 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5553    0.8406    1.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0411    0.2844   -0.2596 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2487    1.8757   -0.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6633   -1.6334   -0.4709 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4260   -2.6831   -0.8246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9604   -1.1229   -0.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4790    2.8750    0.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  2  1  0
 13  5  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  3 18  1  0
  4 19  1  0
  8 20  1  0
 12 21  1  0
M  END