REMARK  Name = BDB040435
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.288  -0.850  -2.203  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.966  -0.353  -1.539  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.188   1.012  -1.351  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.343   1.471  -0.702  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -2.509   3.191  -0.582  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.313   0.576  -0.201  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.077  -0.801  -0.407  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -4.186  -2.033   0.094  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -1.919  -1.253  -1.056  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.558   1.097   0.515  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -4.783   0.467   1.888  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -3.866   0.181   2.655  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -6.090   0.305   2.279  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -6.226  -0.099   3.196  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -7.214   0.821   1.686  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -8.308   0.764   2.241  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -7.014   1.538   0.373  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.804   0.997  -0.372  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        2.448  -1.832  -1.601  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1        1.279  -1.202  -1.217  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.297  -0.672  -0.353  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.632  -2.214  -2.755  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        4.735  -2.739  -1.019  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1        3.489  -2.015  -0.466  0.00  0.00    +0.066 C 
ATOM     25  C   LIG    1        2.848  -2.947   0.587  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1        3.924  -0.640   0.082  0.00  0.00    -0.031 A 
ATOM     27  C   LIG    1        3.878  -0.330   1.456  0.00  0.00    +0.034 A 
ATOM     28  C   LIG    1        4.275   0.944   1.898  0.00  0.00    +0.089 A 
ATOM     29  C   LIG    1        4.715   1.880   0.972  0.00  0.00    +0.066 A 
ATOM     30  N   LIG    1        5.020   2.984   1.727  0.00  0.00    -0.344 N 
ATOM     31  H   LIG    1        5.377   3.862   1.380  0.00  0.00    +0.167 HD
ATOM     32  C   LIG    1        4.758   2.685   3.034  0.00  0.00    +0.197 A 
ATOM     33  C   LIG    1        4.787   1.625  -0.395  0.00  0.00    +0.028 A 
ATOM     34  N   LIG    1        4.305   1.460   3.170  0.00  0.00    -0.236 NA
ATOM     35  C   LIG    1        4.385   0.349  -0.815  0.00  0.00    +0.007 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 5