REMARK  Name = BDB018296
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.090   0.057  -0.471  0.00  0.00    +0.025 A 
ATOM      2  C   LIG    1        1.195   0.339  -0.063  0.00  0.00    +0.123 A 
ATOM      3  N   LIG    1        2.020  -0.670  -0.537  0.00  0.00    -0.238 N 
ATOM      4  N   LIG    1        1.300  -1.565  -1.252  0.00  0.00    -0.174 NA
ATOM      5  C   LIG    1        0.041  -1.136  -1.197  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -2.553   0.220   0.155  0.00  0.00    +0.135 A 
ATOM      7  C   LIG    1       -1.268   0.839  -0.209  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -1.230   2.184  -0.300  0.00  0.00    +0.101 A 
ATOM      9  N   LIG    1       -2.336   2.986  -0.073  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -2.190   4.426  -0.215  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.575   2.458   0.257  0.00  0.00    +0.255 A 
ATOM     12  O   LIG    1       -4.593   3.114   0.458  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.639   0.981   0.372  0.00  0.00    +0.116 A 
BRANCH   6  14
ATOM     14  O   LIG    1       -2.510  -1.155   0.263  0.00  0.00    -0.491 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -3.380  -3.333   0.678  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1       -3.699  -1.850   0.634  0.00  0.00    +0.226 C 
ENDBRANCH  14  16
ENDBRANCH   6  14
ENDBRANCH   1   7
BRANCH   3  17
ATOM     17  C   LIG    1        3.426  -0.816  -0.311  0.00  0.00    +0.084 A 
ATOM     18  C   LIG    1        4.232  -1.740  -1.004  0.00  0.00    +0.066 A 
ATOM     19 CL   LIG    1        3.714  -2.779  -2.289  0.00  0.00    -0.081 Cl
ATOM     20  C   LIG    1        5.603  -1.833  -0.705  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1        6.186  -1.024   0.268  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        5.402  -0.107   0.953  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        4.037  -0.002   0.668  0.00  0.00    +0.029 A 
ENDBRANCH   3  17
TORSDOF 4