REMARK  Name = BDB040567
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.284  -0.050  -1.608  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.723  -0.067  -1.172  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        2.443   1.119  -1.023  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        3.774   1.103  -0.579  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1        4.549   2.650  -0.481  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        4.426  -0.105  -0.250  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.686  -1.295  -0.420  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        4.356  -2.863  -0.116  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        2.357  -1.273  -0.865  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1        5.866  -0.149   0.259  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        6.114   0.753   1.466  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        5.282   0.932   2.354  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1        7.367   1.308   1.567  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1        7.525   1.892   2.377  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        8.482   1.007   0.826  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        9.585   1.448   1.134  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        8.290   0.042  -0.318  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        6.874   0.111  -0.867  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -1.955  -0.325  -0.642  0.00  0.00    +0.226 C 
ATOM     20  N   LIG    1       -0.593  -0.144  -0.466  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -0.238   0.158   0.431  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -2.423  -0.466  -1.770  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1       -2.795  -0.316   0.652  0.00  0.00    +0.101 C 
ATOM     24  C   LIG    1       -2.686   1.072   1.318  0.00  0.00    +0.029 C 
ATOM     25  C   LIG    1       -2.248  -1.370   1.638  0.00  0.00    +0.029 C 
BRANCH  23  31
ATOM     26  C   LIG    1       -6.351   0.100  -0.270  0.00  0.00    +0.221 A 
ATOM     27  C   LIG    1       -6.845  -1.187  -0.327  0.00  0.00    +0.029 A 
ATOM     28  C   LIG    1       -8.257  -1.501  -0.685  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -5.924  -2.165  -0.029  0.00  0.00    +0.121 A 
ATOM     30  N   LIG    1       -4.641  -1.918   0.296  0.00  0.00    -0.239 NA
ATOM     31  C   LIG    1       -4.252  -0.626   0.312  0.00  0.00    +0.147 A 
ATOM     32  N   LIG    1       -5.079   0.404   0.052  0.00  0.00    -0.197 NA
BRANCH  26  34
ATOM     33  C   LIG    1       -6.627   2.410  -0.564  0.00  0.00    +0.279 C 
ATOM     34  O   LIG    1       -7.237   1.123  -0.553  0.00  0.00    -0.479 OA
ENDBRANCH  26  34
ENDBRANCH  23  31
ENDBRANCH  19  23
ENDBRANCH   1  20
TORSDOF 6