REMARK  Name = BDB060359
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.818  -0.044  -0.547  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1        2.890   0.590  -1.047  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        4.188   0.058  -0.833  0.00  0.00    +0.085 A 
ATOM      4  N   LIG    1        4.307  -1.117  -0.108  0.00  0.00    -0.226 N 
ATOM      5  C   LIG    1        5.645  -1.466  -0.015  0.00  0.00    +0.129 A 
ATOM      6  C   LIG    1        6.364  -0.484  -0.689  0.00  0.00    +0.055 A 
ATOM      7  N   LIG    1        3.273  -1.804   0.450  0.00  0.00    -0.174 NA
ATOM      8  C   LIG    1        5.451   0.461  -1.197  0.00  0.00    +0.069 A 
ATOM      9 CL   LIG    1        5.889   1.833  -2.097  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        2.109  -1.284   0.224  0.00  0.00    +0.142 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -3.103   1.144   0.528  0.00  0.00    +0.090 C 
ATOM     12  C   LIG    1       -1.789   0.953  -0.239  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -1.623   1.383  -1.545  0.00  0.00    -0.004 A 
ATOM     14  S   LIG    1       -0.095   1.052  -2.192  0.00  0.00    -0.093 S 
ATOM     15  C   LIG    1        0.483   0.432  -0.695  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1       -2.676   2.089  -2.335  0.00  0.00    +0.058 C 
ATOM     17  C   LIG    1       -3.744   2.606  -1.360  0.00  0.00    +0.086 C 
ATOM     18  C   LIG    1       -0.531   0.470   0.254  0.00  0.00    +0.021 A 
ATOM     19  N   LIG    1       -4.170   1.549  -0.431  0.00  0.00    -0.309 NA
ATOM     20  H   LIG    1       -4.435   0.732  -0.979  0.00  0.00    +0.123 HD
BRANCH  11  22
ATOM     21  C   LIG    1       -4.995   0.253   2.002  0.00  0.00    +0.012 C 
ATOM     22  C   LIG    1       -3.614  -0.086   1.380  0.00  0.00    -0.018 C 
ATOM     23  C   LIG    1       -2.678  -0.399   2.568  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1       -3.771  -1.369   0.538  0.00  0.00    +0.012 C 
ENDBRANCH  11  22
ENDBRANCH   1  15
BRANCH   5  25
ATOM     25  C   LIG    1        6.132  -2.650   0.652  0.00  0.00    +0.260 C 
ATOM     26  O   LIG    1        5.474  -3.641   0.951  0.00  0.00    -0.269 OA
ATOM     27  N   LIG    1        7.463  -2.634   0.973  0.00  0.00    -0.324 N 
ATOM     28  H   LIG    1        7.995  -1.778   0.990  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1        7.778  -3.402   1.548  0.00  0.00    +0.145 HD
ENDBRANCH   5  25
TORSDOF 3