REMARK  Name = BDB053110
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.946   2.712   1.274  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.268   1.977   0.582  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.381   0.609   0.421  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -0.619   0.070  -0.482  0.00  0.00    +0.189 C 
ATOM      5  C   LIG    1       -1.385   1.300  -0.892  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -2.454   1.443  -1.763  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -2.978   2.725  -1.966  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -2.431   3.842  -1.307  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.349   3.695  -0.437  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -0.851   2.419  -0.255  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -1.497  -1.003   0.152  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -1.675  -2.257  -0.461  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -2.483  -3.237   0.123  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -3.128  -2.975   1.329  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -4.122  -4.181   2.047  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -2.973  -1.742   1.955  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -2.164  -0.762   1.370  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   4  18
ATOM     18  O   LIG    1        0.055  -0.405  -1.630  0.00  0.00    -0.364 OA
ATOM     19  H   LIG    1        0.886   0.099  -1.647  0.00  0.00    +0.213 HD
ENDBRANCH   4  18
BRANCH   3  20
ATOM     20  C   LIG    1        1.369  -0.199   1.113  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.591  -0.461   0.265  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        2.787  -1.712  -0.338  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        3.906  -1.942  -1.141  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        4.833  -0.922  -1.346  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1        6.211  -1.206  -2.337  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1        4.650   0.327  -0.757  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        3.531   0.557   0.045  0.00  0.00    +0.006 A 
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 4