HMDB0011165
     RDKit          3D
L-beta-aspartyl-L-glycine
 23 22  0  0  0  0  0  0  0  0999 V2000
   -2.8196   -1.8198   -1.0063 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8351   -1.0756   -0.1943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6942   -0.6280   -1.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3179    0.0618   -0.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2384    0.0314    0.9924 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4059    0.7777   -0.8290 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3530    1.4217    0.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0026    0.3989    0.8833 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6996   -0.7996    0.7618 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9526    0.8503    1.8075 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5628    0.0694    0.4444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8044    0.2304    0.1805 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0284    0.9887    1.3051 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3486   -2.6394   -1.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2104   -1.1539   -1.6883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4642   -1.7468    0.5786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2516   -1.5816   -1.4789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0384   -0.0425   -1.9402 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5131    0.8331   -1.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    2.1815    0.6855 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0992    2.0296   -0.5237 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1981    0.2385    2.5947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5521    1.3743    2.0641 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
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  2 11  1  0
 11 12  2  0
 11 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  3 17  1  0
  3 18  1  0
  6 19  1  0
  7 20  1  0
  7 21  1  0
 10 22  1  0
 13 23  1  0
M  END