HMDB0061716
     RDKit          3D
N-methylvaline
 22 21  0  0  0  0  0  0  0  0999 V2000
    2.4605   -0.8908    0.3557 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0424   -0.8088    0.5116 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3644    0.0654   -0.3869 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7967    1.4627   -0.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6392    1.7838    0.7410 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2891    2.5072   -0.9435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1305   -0.0005   -0.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6815   -1.3718   -0.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6562    0.4308    1.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7994   -1.7702    0.9769 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7782   -1.0931   -0.6909 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0403   -0.0308    0.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8776   -0.4482    1.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7044   -0.1729   -1.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2470    3.4147   -0.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5377    0.7111   -1.0545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5910   -1.6103    0.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0215   -1.4170   -1.6555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9690   -2.1882   -0.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1612   -0.1911    1.8312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7355    0.0946    1.0714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5550    1.5234    1.2376 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
  4  5  2  0
  4  6  1  0
  3  7  1  0
  7  8  1  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  6
  6 15  1  0
  7 16  1  0
  8 17  1  0
  8 18  1  0
  8 19  1  0
  9 20  1  0
  9 21  1  0
  9 22  1  0
M  END