REMARK  Name = BDB050013
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.064  -1.072  -3.019  0.00  0.00    +0.065 C 
ATOM      2  C   LIG    1        0.761  -0.162  -1.866  0.00  0.00    +0.039 A 
ATOM      3  N   LIG    1        0.182  -0.716  -0.773  0.00  0.00    -0.251 NA
ATOM      4  C   LIG    1       -0.119   0.058   0.308  0.00  0.00    +0.083 A 
ATOM      5  C   LIG    1        0.174   1.442   0.289  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.124   2.266   1.387  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -0.717   1.739   2.526  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.015   0.384   2.570  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        0.772   1.990  -0.853  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -0.721  -0.453   1.475  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        1.070   1.184  -1.942  0.00  0.00    +0.023 A 
ENDROOT
BRANCH  10  12
ATOM     12  C   LIG    1       -1.086  -1.894   1.638  0.00  0.00    +0.244 C 
ATOM     13  O   LIG    1       -1.609  -2.312   2.665  0.00  0.00    -0.270 OA
ATOM     14  N   LIG    1       -0.823  -2.747   0.608  0.00  0.00    -0.325 N 
ATOM     15  H   LIG    1       -0.389  -2.404  -0.247  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1       -1.062  -3.723   0.699  0.00  0.00    +0.145 HD
ENDBRANCH  10  12
TORSDOF 1