REMARK  Name = BDB043729
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  CA  LIG    1       -0.193  -2.046  -0.060  0.00  0.00    +0.174 A 
ATOM      2  C   LIG    1       -1.072  -0.969   0.017  0.00  0.00    +0.088 A 
ATOM      3  N   LIG    1       -0.257   0.170  -0.020  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        1.060  -0.276  -0.101  0.00  0.00    +0.119 A 
ATOM      5  N   LIG    1        1.101  -1.591  -0.135  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -2.535  -0.960   0.083  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -3.193  -1.546   1.173  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1       -4.589  -1.540   1.233  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1       -5.379  -2.244   2.590  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -5.327  -0.961   0.203  0.00  0.00    +0.142 A 
ATOM     11  F   LIG    1       -6.666  -0.942   0.244  0.00  0.00    -0.204 F 
ATOM     12  C   LIG    1       -4.684  -0.389  -0.890  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1       -3.289  -0.390  -0.954  0.00  0.00    +0.013 A 
ENDBRANCH   2   6
BRANCH   3  14
ATOM     14  C   LIG    1       -0.703   1.514   0.069  0.00  0.00    +0.085 A 
ATOM     15  C   LIG    1       -0.284   2.456  -0.874  0.00  0.00    +0.165 A 
ATOM     16  F   LIG    1        0.506   2.083  -1.892  0.00  0.00    -0.202 F 
ATOM     17  C   LIG    1       -0.733   3.773  -0.796  0.00  0.00    +0.078 A 
ATOM     18 CL   LIG    1       -0.229   4.939  -1.958  0.00  0.00    -0.081 Cl
ATOM     19  C   LIG    1       -1.607   4.156   0.222  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1       -2.037   3.216   1.161  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -1.590   1.895   1.086  0.00  0.00    +0.029 A 
ENDBRANCH   3  14
BRANCH   4  22
ATOM     22  C   LIG    1        2.294   0.600  -0.021  0.00  0.00    +0.056 C 
ATOM     23  C   LIG    1        3.141   0.504  -1.300  0.00  0.00    +0.011 C 
ATOM     24  C   LIG    1        3.994  -0.762  -1.387  0.00  0.00    +0.001 C 
ATOM     25  C   LIG    1        4.840  -0.961  -0.135  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1        3.986  -0.969   1.127  0.00  0.00    +0.001 C 
ATOM     27  C   LIG    1        3.125   0.289   1.238  0.00  0.00    +0.011 C 
ENDBRANCH   4  22
BRANCH   1  29
ATOM     28  O   LIG    1        0.152  -4.328   0.509  0.00  0.00    -0.243 OA
ATOM     29  C   LIG    1       -0.510  -3.479  -0.071  0.00  0.00    +0.357 C 
BRANCH  29  30
ATOM     30  OXT LIG    1       -1.615  -3.818  -0.791  0.00  0.00    -0.476 OA
ATOM     31  HXT LIG    1       -1.959  -3.068  -1.309  0.00  0.00    +0.295 HD
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 5