HMDB0029873
     RDKit          3D
(S)-Spinacine
 21 22  0  0  0  0  0  0  0  0999 V2000
    3.4891   -1.0004    0.1902 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6842   -0.0410    0.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2228    1.1764   -0.3199 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2346   -0.1212    0.3268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4297    0.3456   -0.8807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9590    0.5133   -0.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9262    1.4600   -0.4200 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0113    1.0120    0.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7455   -0.2224    0.6744 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4753   -0.5621    0.3074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5812   -1.7273    0.4656 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7849   -1.4128    0.7266 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0280    1.6134   -1.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9504    0.5951    1.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4169   -0.5140   -1.5973 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8458    1.2598   -1.3286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7661    2.3788   -0.9000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9229    1.5456    0.3591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6942   -2.3467   -0.4718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9877   -2.3703    1.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828   -1.5815    1.7386 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  4  1  0
 10  6  2  0
  3 13  1  0
  4 14  1  0
  5 15  1  0
  5 16  1  0
  7 17  1  0
  8 18  1  0
 11 19  1  0
 11 20  1  0
 12 21  1  0
M  END