REMARK  Name = BDB057329
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.426  -0.488  -0.279  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        1.205  -1.171  -0.352  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1        0.006  -0.445  -0.226  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1        0.011   0.932  -0.021  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -1.348   1.357   0.084  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -2.168   0.229  -0.054  0.00  0.00    +0.088 A 
ATOM      7  C   LIG    1       -3.557   0.359   0.038  0.00  0.00    +0.153 A 
ATOM      8 CL   LIG    1       -4.693  -0.911  -0.067  0.00  0.00    -0.060 Cl
ATOM      9  N   LIG    1       -4.115   1.574   0.236  0.00  0.00    -0.241 NA
ATOM     10  C   LIG    1       -3.321   2.651   0.359  0.00  0.00    +0.113 A 
ATOM     11  C   LIG    1       -1.941   2.611   0.296  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        1.248   1.605   0.048  0.00  0.00    +0.014 A 
ATOM     13  N   LIG    1       -1.320  -0.849  -0.268  0.00  0.00    -0.324 N 
ATOM     14  C   LIG    1        2.445   0.888  -0.083  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  16
ATOM     15  C   LIG    1        4.799  -0.672  -0.304  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        3.525  -1.294  -0.418  0.00  0.00    -0.495 OA
ENDBRANCH   1  16
BRANCH  13  17
ATOM     17  C   LIG    1       -1.724  -2.225  -0.545  0.00  0.00    +0.241 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.940  -3.000   0.679  0.00  0.00    +0.084 C 
ATOM     19  N   LIG    1       -2.106  -3.636   1.637  0.00  0.00    -0.195 NA
ENDBRANCH  17  18
ENDBRANCH  13  17
TORSDOF 3