REMARK  Name = BDB053356
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.053   2.149  -0.403  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -1.257   0.953  -0.534  0.00  0.00    +0.267 A 
ATOM      3  N   LIG    1       -0.475   0.040  -1.222  0.00  0.00    -0.272 N 
ATOM      4  S   LIG    1       -1.036  -1.582  -1.164  0.00  0.00    +0.012 S 
ATOM      5  C   LIG    1       -2.438  -1.077  -0.191  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1       -3.392  -1.920   0.243  0.00  0.00    -0.246 NA
ATOM      7  C   LIG    1       -4.378  -1.344   0.974  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1       -4.441   0.017   1.278  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -3.433   0.859   0.808  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1       -2.421   0.283   0.060  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   3  11
ATOM     11  C   LIG    1        0.794   0.377  -1.829  0.00  0.00    +0.168 C 
BRANCH  11  12
ATOM     12  C   LIG    1        1.956   0.174  -0.882  0.00  0.00    -0.026 A 
ATOM     13  C   LIG    1        2.268   1.151   0.078  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1        3.327   0.960   0.973  0.00  0.00    +0.060 A 
ATOM     15 CL   LIG    1        3.645   2.212   2.121  0.00  0.00    -0.082 Cl
ATOM     16  C   LIG    1        4.082  -0.216   0.918  0.00  0.00    +0.059 A 
ATOM     17 CL   LIG    1        5.402  -0.522   1.989  0.00  0.00    -0.082 Cl
ATOM     18  C   LIG    1        3.772  -1.195  -0.030  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        2.715  -1.003  -0.923  0.00  0.00    +0.007 A 
ENDBRANCH  11  12
ENDBRANCH   3  11
TORSDOF 2