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DEMIAN / HackaMol-0.053 / t / lib / valine.zmat 

            

              
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N 0     -12.781   3.620  15.274 
C 0     -11.976   4.652  15.944 
C 0     -12.722   6.019  15.985 
O 0     -13.133   6.378  14.897 
C       2  CBCA    3    CBCAC   4 CBCACO 
C 5  CBCA 2 CBCAC 3 CG1CBCAC
C 5  CBCA 2 CBCAC 3 CG2CBCAC
CBCA    = 1.54
CBCA    = 1.54
CBCA    = 1.54
CBCAC   = 113.4
CBCACO  = 71.85
CG1CBCAC = 54. 
CG2CBCAC = 180.