REMARK  Name = BDB012435
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.711  -0.501   0.878  0.00  0.00    +0.110 A 
ATOM      2  C   LIG    1        1.321  -0.405   0.762  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        0.122  -1.152   0.538  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -0.938  -0.188   0.550  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -0.415   1.209   0.781  0.00  0.00    +0.161 C 
ATOM      6  O   LIG    1        0.085  -2.364   0.413  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1        1.015   0.908   0.913  0.00  0.00    +0.077 A 
ATOM      8  N   LIG    1        2.167   1.570   1.121  0.00  0.00    -0.268 N 
ATOM      9  C   LIG    1        2.377   2.983   1.303  0.00  0.00    +0.172 C 
ATOM     10  N   LIG    1        3.226   0.724   1.138  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -2.303  -0.477   0.449  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -3.262   0.437   0.699  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -4.616   0.157   0.609  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1       -5.565   1.219   0.907  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -5.099  -1.102   0.262  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1       -6.291  -1.391   0.195  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -4.057  -2.128  -0.044  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -4.546  -3.479  -0.461  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1       -2.757  -1.801   0.051  0.00  0.00    +0.033 A 
ENDBRANCH   4  11
BRANCH   5  20
ATOM     20  C   LIG    1       -0.701   2.180  -0.352  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1       -1.106   3.493  -0.056  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -1.360   4.409  -1.081  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.204   4.022  -2.410  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -1.516   5.152  -3.669  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -0.795   2.730  -2.724  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -0.542   1.813  -1.700  0.00  0.00    +0.007 A 
ENDBRANCH   5  20
BRANCH   1  28
ATOM     27  C   LIG    1        4.603  -1.807  -0.110  0.00  0.00    +0.224 A 
ATOM     28  C   LIG    1        3.541  -1.691   0.791  0.00  0.00    +0.064 A 
ATOM     29  C   LIG    1        3.278  -2.785   1.625  0.00  0.00    +0.017 A 
ATOM     30  C   LIG    1        4.070  -3.927   1.543  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1        5.103  -3.941   0.622  0.00  0.00    +0.114 A 
ATOM     32  N   LIG    1        5.385  -2.914  -0.207  0.00  0.00    -0.221 NA
BRANCH  27  34
ATOM     33  C   LIG    1        6.014  -0.925  -1.763  0.00  0.00    +0.279 C 
ATOM     34  O   LIG    1        4.827  -0.769  -0.995  0.00  0.00    -0.479 OA
ENDBRANCH  27  34
ENDBRANCH   1  28
TORSDOF 4