HMDB0002015
     RDKit          3D
Cystathionine ketimine
 22 22  0  0  0  0  0  0  0  0999 V2000
    3.2053   -0.0580   -1.9203 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4168    0.5939   -1.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6305    1.9546   -0.9701 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2967   -0.1098   -0.6044 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4897    0.5377    0.1348 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6551    0.3846    0.8909 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2423    1.7306    1.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2963    1.8955    1.8104 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6316    2.8657    0.6406 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7615   -0.4772    0.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4336   -1.9231    0.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5019   -2.0523   -1.3162 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1644   -1.5221   -0.8978 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9741    2.2776   -0.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3632    0.0088    1.9197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6578    3.0902   -0.3508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5938   -0.4075    1.1552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1508   -0.0869   -0.5369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3905   -2.4873    0.1878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8579   -2.3171    1.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5394   -2.1295   -0.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8193   -1.7682   -1.7660 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  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  6 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  4  1  0
  3 14  1  0
  6 15  1  1
  9 16  1  0
 10 17  1  0
 10 18  1  0
 11 19  1  0
 11 20  1  0
 13 21  1  0
 13 22  1  0
M  END