REMARK  Name = BDB043734
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.255   0.661   0.602  0.00  0.00    +0.147 A 
ATOM      2  N   LIG    1       -0.055   0.311   0.287  0.00  0.00    -0.291 N 
ATOM      3  C   LIG    1       -0.844   1.455   0.440  0.00  0.00    +0.088 A 
ATOM      4  CA  LIG    1        0.047   2.456   0.824  0.00  0.00    +0.174 A 
ATOM      5  N   LIG    1        1.326   1.940   0.913  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -0.482  -0.940  -0.239  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1       -1.463  -1.724   0.401  0.00  0.00    -0.026 A 
ATOM      8  C   LIG    1       -2.071  -1.403   1.738  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1       -1.871  -2.915  -0.225  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -1.297  -3.332  -1.428  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -0.302  -2.564  -2.023  0.00  0.00    +0.043 A 
ATOM     12 CL   LIG    1        0.410  -3.083  -3.500  0.00  0.00    -0.083 Cl
ATOM     13  C   LIG    1        0.112  -1.372  -1.437  0.00  0.00    +0.046 A 
ENDBRANCH   2   6
BRANCH   1  17
ATOM     14  C   LIG    1        6.045  -0.121  -0.566  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1        4.757  -0.623   0.017  0.00  0.00    -0.050 A 
ATOM     16  C   LIG    1        3.624   0.203   0.045  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        2.417  -0.238   0.609  0.00  0.00    +0.018 A 
ATOM     18  C   LIG    1        2.373  -1.511   1.192  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1        3.500  -2.336   1.181  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        4.686  -1.893   0.596  0.00  0.00    +0.003 A 
ENDBRANCH   1  17
BRANCH   3  21
ATOM     21  C   LIG    1       -2.272   1.533   0.120  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1       -3.207   1.812   1.125  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1       -4.565   1.883   0.816  0.00  0.00    +0.042 A 
ATOM     24 CL   LIG    1       -5.706   2.216   2.060  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -5.007   1.681  -0.490  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -4.082   1.412  -1.498  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -2.720   1.342  -1.194  0.00  0.00    +0.010 A 
ENDBRANCH   3  21
BRANCH   4  28
ATOM     28  C   LIG    1       -0.201   3.878   1.070  0.00  0.00    +0.357 C 
ATOM     29  O   LIG    1        0.634   4.696   1.433  0.00  0.00    -0.243 OA
BRANCH  28  30
ATOM     30  OXT LIG    1       -1.470   4.301   0.862  0.00  0.00    -0.476 OA
ATOM     31  HXT LIG    1       -1.409   5.256   1.067  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH   4  28
TORSDOF 5