REMARK  Name = BDB057048
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.456   1.991   0.822  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -2.216   0.795   0.728  0.00  0.00    +0.304 C 
ATOM      3  N   LIG    1       -0.962   0.263   0.970  0.00  0.00    -0.296 N 
ATOM      4  H   LIG    1       -0.742  -0.558   0.425  0.00  0.00    +0.151 HD
ATOM      5  N   LIG    1       -3.105  -0.204   0.396  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1       -2.797  -1.138   0.620  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.164   1.137   1.300  0.00  0.00    +0.077 C 
ATOM      8  C   LIG    1        1.291   0.341   1.972  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        2.386  -0.020   0.971  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1        3.032   1.174   0.401  0.00  0.00    -0.298 NA
ATOM     11  C   LIG    1        2.113   2.308   0.214  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1        0.655   1.889   0.055  0.00  0.00    +0.038 C 
BRANCH  10  13
ATOM     13  C   LIG    1        3.769   0.864  -0.836  0.00  0.00    +0.119 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.910  -0.112  -0.632  0.00  0.00    -0.033 A 
ATOM     15  C   LIG    1        5.953   0.191   0.259  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        7.011  -0.701   0.445  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        7.034  -1.901  -0.262  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        8.336  -3.003  -0.034  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        6.010  -2.216  -1.153  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        4.951  -1.323  -1.338  0.00  0.00    +0.006 A 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   5  21
ATOM     21  C   LIG    1       -4.448  -0.059  -0.007  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1       -5.211  -1.228  -0.130  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1       -6.559  -1.177  -0.530  0.00  0.00    +0.057 A 
ATOM     24  C   LIG    1       -7.131   0.066  -0.827  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -6.376   1.231  -0.713  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -5.040   1.168  -0.306  0.00  0.00    +0.023 A 
BRANCH  23  27
ATOM     27  C   LIG    1       -7.358  -2.447  -0.675  0.00  0.00    +0.417 C 
ATOM     28  F   LIG    1       -6.988  -3.411   0.214  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -8.696  -2.267  -0.492  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -7.220  -3.006  -1.908  0.00  0.00    -0.166 F 
ENDBRANCH  23  27
ENDBRANCH   5  21
TORSDOF 5