REMARK  Name = BDB040566
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.540  -2.412   1.735  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.721  -1.713   1.306  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        0.959  -0.391   1.692  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        2.078   0.309   1.221  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1        2.199   1.959   1.736  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        3.011  -0.298   0.353  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        2.747  -1.630  -0.036  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        3.756  -2.493  -1.149  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        1.622  -2.323   0.433  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1        4.232   0.443  -0.188  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        5.084   1.100   0.895  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        5.281   0.593   1.998  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1        5.711   2.274   0.552  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1        6.282   2.692   1.273  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        5.824   2.833  -0.696  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        6.559   3.796  -0.894  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        5.076   2.147  -1.811  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        3.838   1.436  -1.288  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -2.926  -2.386   1.132  0.00  0.00    +0.226 C 
ATOM     20  N   LIG    1       -1.622  -2.022   0.864  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.502  -1.163   0.332  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -3.196  -3.201   2.012  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -5.390  -2.196   0.667  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1       -3.988  -1.739   0.216  0.00  0.00    +0.101 C 
ATOM     25  C   LIG    1       -3.774  -2.230  -1.229  0.00  0.00    +0.029 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -3.849  -0.217   0.270  0.00  0.00    +0.144 A 
ATOM     27  N   LIG    1       -2.714   0.325  -0.242  0.00  0.00    -0.234 NA
ATOM     28  CA  LIG    1       -2.567   1.672  -0.151  0.00  0.00    +0.070 A 
ATOM     29  C   LIG    1       -3.519   2.481   0.430  0.00  0.00    +0.045 A 
ATOM     30  C   LIG    1       -4.636   1.843   0.912  0.00  0.00    +0.114 A 
ATOM     31  N   LIG    1       -4.822   0.512   0.845  0.00  0.00    -0.239 NA
BRANCH  28  32
ATOM     32  C   LIG    1       -1.294   2.272  -0.707  0.00  0.00    +0.211 C 
BRANCH  32  33
ATOM     33  O   LIG    1       -0.489   1.286  -1.354  0.00  0.00    -0.389 OA
ATOM     34  H   LIG    1       -1.046   0.485  -1.399  0.00  0.00    +0.210 HD
ENDBRANCH  32  33
ENDBRANCH  28  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 7