REMARK  Name = BDB046625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.162   0.166   0.857  0.00  0.00    +0.131 C 
ATOM      2  C   LIG    1       -0.478  -1.166   0.134  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        0.252  -1.259  -1.157  0.00  0.00    -0.335 N 
ATOM      4  H   LIG    1       -0.121  -0.511  -1.765  0.00  0.00    +0.147 HD
ATOM      5  C   LIG    1        1.643  -1.057  -1.024  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        2.204  -0.356   0.048  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        3.575  -0.172   0.155  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1        4.424  -0.636  -0.850  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        3.872  -1.278  -1.957  0.00  0.00    +0.043 A 
ATOM     10 CL   LIG    1        4.902  -1.836  -3.217  0.00  0.00    -0.083 Cl
ATOM     11  C   LIG    1        4.096   0.505   1.351  0.00  0.00    +0.273 A 
ATOM     12  O   LIG    1        5.298   0.683   1.508  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1        3.160   0.904   2.280  0.00  0.00    -0.242 N 
ATOM     14  H   LIG    1        3.509   1.379   3.108  0.00  0.00    +0.192 HD
ATOM     15  N   LIG    1        1.804   0.810   2.152  0.00  0.00    -0.174 NA
ATOM     16  C   LIG    1        2.491  -1.481  -2.051  0.00  0.00    +0.043 A 
ATOM     17  C   LIG    1        1.340   0.225   1.085  0.00  0.00    +0.083 A 
ENDROOT
BRANCH   1  20
ATOM     18  C   LIG    1       -0.830   2.957   2.051  0.00  0.00    +0.150 C 
ATOM     19  N   LIG    1       -0.834   2.622   0.647  0.00  0.00    -0.337 N 
ATOM     20  C   LIG    1       -0.541   1.401   0.077  0.00  0.00    +0.121 A 
ATOM     21  N   LIG    1       -0.629   1.482  -1.240  0.00  0.00    -0.240 NA
ATOM     22  C   LIG    1       -0.998   2.769  -1.520  0.00  0.00    +0.130 A 
ATOM     23  C   LIG    1       -1.130   3.495  -0.363  0.00  0.00    +0.106 A 
ENDBRANCH   1  20
BRANCH   2  24
ATOM     24  C   LIG    1       -1.946  -1.528  -0.093  0.00  0.00    -0.026 A 
ATOM     25  C   LIG    1       -2.248  -2.711  -0.797  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -3.568  -3.116  -1.008  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.616  -2.350  -0.512  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.343  -1.183   0.195  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.021  -0.777   0.407  0.00  0.00    +0.005 A 
ENDBRANCH   2  24
TORSDOF 2