REMARK  Name = BDB020223
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.366   2.791  -0.811  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -1.761   1.532  -0.448  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -2.418   0.365  -0.162  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1       -1.416  -0.555   0.149  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1       -1.810  -1.866   0.492  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -3.170  -2.203   0.513  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -4.142  -1.260   0.198  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.189   0.175   0.010  0.00  0.00    +0.085 A 
ATOM      9  C   LIG    1       -3.784   0.045  -0.146  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -0.424   1.436  -0.393  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        1.265  -0.243   0.201  0.00  0.00    +0.089 C 
ATOM     12  C   LIG    1        1.892   0.650   1.286  0.00  0.00    +0.231 C 
ATOM     13  O   LIG    1        1.377   0.845   2.388  0.00  0.00    -0.274 OA
ATOM     14  N   LIG    1        3.153   1.146   1.044  0.00  0.00    -0.256 N 
ATOM     15  H   LIG    1        3.543   1.700   1.795  0.00  0.00    +0.157 HD
ATOM     16  C   LIG    1        4.048   0.747   0.086  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        5.231   1.073   0.150  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        3.530  -0.180  -0.982  0.00  0.00    +0.097 C 
ATOM     19  C   LIG    1        2.024  -0.053  -1.139  0.00  0.00    +0.031 C 
ATOM     20  C   LIG    1        1.442  -1.688   0.699  0.00  0.00    +0.027 C 
ENDBRANCH   8  11
TORSDOF 1