HMDB0260302
     RDKit          3D
D-Alloisoleucine
 22 21  0  0  0  0  0  0  0  0999 V2000
    2.2760    0.3127    0.2439 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0530    0.9745    0.8308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1826    0.7337   -0.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0469    1.2571   -1.3951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5304   -0.7189    0.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7877   -1.0610    1.4614 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6395   -1.1335   -0.7760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6571   -0.9492   -2.0154 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7377   -1.7634   -0.2144 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1606    0.7607    0.7603 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3220   -0.7730    0.4478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4117    0.5397   -0.8363 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8610    0.4674    1.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2603    2.0326    1.0153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0032    1.3163    0.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7136    2.0860   -1.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9802    1.7194   -1.7493 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2769    0.5266   -2.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3961   -1.2930   -0.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3020   -1.9702    1.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1976   -0.2986    2.0087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6663   -2.7659    0.0052 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  0
  4 16  1  0
  4 17  1  0
  4 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  9 22  1  0
M  END