REMARK  Name = BDB050241
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.845  -0.447  -0.504  0.00  0.00    -0.020 A 
ATOM      2  C   LIG    1       -2.075  -0.156   0.171  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -2.907   0.497  -0.741  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1       -4.195   0.928  -0.403  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1       -4.654   0.693   0.895  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -3.846   0.044   1.826  0.00  0.00    +0.002 A 
ATOM      7 CL   LIG    1       -5.195   1.730  -1.547  0.00  0.00    -0.081 Cl
ATOM      8  N   LIG    1       -2.212   0.597  -1.923  0.00  0.00    -0.359 N 
ATOM      9  H   LIG    1       -2.574   1.034  -2.761  0.00  0.00    +0.165 HD
ATOM     10  C   LIG    1       -2.558  -0.384   1.477  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -0.974   0.031  -1.793  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1        0.358  -1.128   0.071  0.00  0.00    +0.069 C 
BRANCH  12  17
ATOM     13  C   LIG    1        4.879   0.347  -0.429  0.00  0.00    +0.143 C 
ATOM     14  N   LIG    1        3.631  -0.015   0.193  0.00  0.00    -0.228 N 
ATOM     15  C   LIG    1        2.398   0.343  -0.279  0.00  0.00    +0.243 C 
ATOM     16  O   LIG    1        2.179   0.966  -1.309  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        1.335  -0.146   0.713  0.00  0.00    +0.165 C 
ATOM     18  N   LIG    1        2.188  -0.783   1.694  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1        1.904  -1.083   2.617  0.00  0.00    +0.151 HD
ATOM     20  C   LIG    1        3.523  -0.623   1.404  0.00  0.00    +0.309 C 
ATOM     21  O   LIG    1        4.423  -0.962   2.153  0.00  0.00    -0.252 OA
ENDBRANCH  12  17
ENDBRANCH   1  12
TORSDOF 2