REMARK  Name = BDB045295
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.728  -2.154  -0.764  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -3.050  -0.837  -0.115  0.00  0.00    -0.024 A 
ATOM      3  C   LIG    1       -2.020   0.046   0.255  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -2.363   1.262   0.855  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1       -1.267   2.167   1.237  0.00  0.00    +0.259 A 
ATOM      6  N   LIG    1       -0.003   1.732   0.932  0.00  0.00    -0.306 N 
ATOM      7  H   LIG    1        0.739   2.337   1.248  0.00  0.00    +0.170 HD
ATOM      8  C   LIG    1        0.259   0.518   0.342  0.00  0.00    +0.141 A 
ATOM      9  O   LIG    1       -1.465   3.238   1.799  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1       -3.695   1.615   1.094  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -4.709   0.737   0.725  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1       -0.679  -0.313   0.015  0.00  0.00    -0.229 NA
ATOM     13  C   LIG    1       -4.389  -0.482   0.124  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   8  14
ATOM     14  C   LIG    1        1.688   0.179   0.105  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        2.070  -1.166   0.121  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        3.406  -1.521  -0.091  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        4.366  -0.548  -0.376  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        3.986   0.797  -0.349  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        2.652   1.163  -0.135  0.00  0.00    +0.013 A 
BRANCH  17  20
ATOM     20  N   LIG    1        5.717  -0.896  -0.468  0.00  0.00    -0.358 N 
ATOM     21  H   LIG    1        6.285  -0.224  -0.974  0.00  0.00    +0.142 HD
ATOM     22  H   LIG    1        5.877  -1.848  -0.783  0.00  0.00    +0.142 HD
ENDBRANCH  17  20
ENDBRANCH   8  14
TORSDOF 2