REMARK  Name = BDB050023
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.244   0.053   0.598  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -1.833  -0.071   0.401  0.00  0.00    +0.104 A 
ATOM      3  C   LIG    1       -1.060   1.129   0.418  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1        0.328   1.093   0.227  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        1.017  -0.101   0.028  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.266  -1.271   0.031  0.00  0.00    +0.142 A 
ATOM      7  C   LIG    1       -1.670   2.373   0.635  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -3.037   2.472   0.845  0.00  0.00    +0.001 A 
ATOM      9  N   LIG    1       -1.116  -1.290   0.213  0.00  0.00    -0.138 N 
ATOM     10  O   LIG    1       -1.678  -2.436   0.203  0.00  0.00    -0.164 OA
ATOM     11  C   LIG    1       -3.815   1.322   0.828  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        2.474  -0.131  -0.172  0.00  0.00    -0.016 A 
ATOM     13  C   LIG    1        3.090   0.684  -1.137  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        4.474   0.656  -1.329  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        5.267  -0.189  -0.557  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        4.678  -1.004   0.405  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        3.294  -0.976   0.595  0.00  0.00    +0.008 A 
ENDBRANCH   5  12
BRANCH   1  21
ATOM     18  N   LIG    1       -4.089  -2.083  -0.283  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1       -3.123  -2.412  -0.389  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1       -4.734  -2.846  -0.123  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1       -4.255  -1.045   0.582  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1       -5.265  -0.979   1.277  0.00  0.00    -0.270 OA
ENDBRANCH   1  21
TORSDOF 2