HMDB0000172
     RDKit          3D
L-Isoleucine
 22 21  0  0  0  0  0  0  0  0999 V2000
   -1.9483    1.3874   -0.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7094   -0.0928   -0.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2927   -0.4903   -0.3933 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2345   -2.0164   -0.2386 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7018    0.0749    0.5808 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7185    1.5085    0.6256 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0588   -0.3788    0.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3447   -1.5974   -0.0157 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0704    0.5308   -0.1787 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9257    1.5414   -0.7238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0637    1.7905    0.8190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1964    1.9172   -0.8110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9488   -0.4780    0.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3631   -0.6450   -0.8022 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0263   -0.2743   -1.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4097   -2.4817   -0.9859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2615   -2.4565   -0.3917 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0471   -2.2815    0.8132 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5202   -0.3244    1.5957 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3611    1.8613   -0.1223 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2068    1.7723    1.5347 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4789    1.1329    0.5295 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  6
  4 16  1  0
  4 17  1  0
  4 18  1  0
  5 19  1  1
  6 20  1  0
  6 21  1  0
  9 22  1  0
M  END