REMARK  Name = BDB057421
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.326  -0.395   0.102  0.00  0.00    +0.106 C 
ATOM      2  C   LIG    1       -1.445  -1.017   1.498  0.00  0.00    +0.022 C 
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -6.869   1.957   0.554  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -5.716   1.094   0.197  0.00  0.00    +0.079 A 
ATOM      5  C   LIG    1       -5.721  -0.249  -0.203  0.00  0.00    +0.085 A 
ATOM      6 CL   LIG    1       -7.100  -1.224  -0.382  0.00  0.00    -0.080 Cl
ATOM      7  C   LIG    1       -4.403  -0.581  -0.456  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1       -3.886  -1.847  -1.036  0.00  0.00    +0.067 C 
ATOM      9  N   LIG    1       -3.648   0.548  -0.111  0.00  0.00    -0.202 N 
ATOM     10  C   LIG    1       -2.250   0.808  -0.011  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1       -1.869   1.975   0.064  0.00  0.00    -0.270 OA
ATOM     12  N   LIG    1       -4.480   1.590   0.209  0.00  0.00    -0.168 NA
ENDBRANCH   1  10
BRANCH   1  13
ATOM     13  C   LIG    1        0.136  -0.070  -0.208  0.00  0.00    -0.035 A 
ATOM     14  C   LIG    1        0.772  -0.683  -1.299  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        2.113  -0.414  -1.590  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        2.849   0.473  -0.799  0.00  0.00    -0.047 A 
ATOM     17  C   LIG    1        2.219   1.090   0.287  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        0.879   0.821   0.580  0.00  0.00    +0.004 A 
BRANCH  16  19
ATOM     19  C   LIG    1        4.297   0.766  -1.112  0.00  0.00    +0.038 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.289   0.139  -0.112  0.00  0.00    -0.013 C 
ATOM     21  C   LIG    1        5.290  -1.390  -0.186  0.00  0.00    +0.007 C 
ATOM     22  C   LIG    1        6.699   0.669  -0.380  0.00  0.00    +0.007 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  13
TORSDOF 4