REMARK  Name = BDB000101
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.916   1.084  -0.040  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.510   1.522  -0.357  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.512   0.617  -0.095  0.00  0.00    -0.291 N 
ATOM      4  C   LIG    1       -2.101   0.975  -0.379  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.411  -0.250   0.036  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -2.305  -1.209   0.508  0.00  0.00    +0.087 A 
ATOM      7  N   LIG    1       -1.732  -2.341   0.898  0.00  0.00    -0.175 NA
ATOM      8  N   LIG    1       -0.416  -2.082   0.661  0.00  0.00    -0.263 N 
ATOM      9  H   LIG    1        0.287  -2.785   0.876  0.00  0.00    +0.190 HD
ATOM     10  C   LIG    1       -0.176  -0.823   0.135  0.00  0.00    +0.126 A 
ATOM     11  C   LIG    1       -3.701  -0.749   0.469  0.00  0.00    +0.165 C 
ATOM     12  O   LIG    1       -4.278   2.636  -0.826  0.00  0.00    -0.276 OA
ENDROOT
BRANCH  10  13
ATOM     13  N   LIG    1        1.073  -0.337  -0.189  0.00  0.00    -0.266 N 
ATOM     14  H   LIG    1        1.139   0.613  -0.532  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        2.219  -1.087   0.025  0.00  0.00    +0.249 C 
ATOM     16  O   LIG    1        2.236  -2.203   0.539  0.00  0.00    -0.270 OA
BRANCH  15  17
ATOM     17  C   LIG    1        3.498  -0.444  -0.383  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        3.576   0.428  -1.477  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        4.800   1.007  -1.821  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        5.946   0.712  -1.083  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.876  -0.168  -0.004  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        4.656  -0.750   0.344  0.00  0.00    +0.013 A 
ENDBRANCH  15  17
ENDBRANCH  10  13
TORSDOF 2