REMARK  Name = BDB043727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  CA  LIG    1        0.649  -1.996  -1.338  0.00  0.00    +0.174 A 
ATOM      2  C   LIG    1        1.060  -0.962  -0.502  0.00  0.00    +0.088 A 
ATOM      3  N   LIG    1       -0.109  -0.256  -0.197  0.00  0.00    -0.289 N 
ATOM      4  C   LIG    1       -1.169  -0.958  -0.772  0.00  0.00    +0.147 A 
ATOM      5  N   LIG    1       -0.720  -1.964  -1.495  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        2.417  -0.557  -0.134  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        2.971   0.625  -0.647  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1        4.264   1.006  -0.283  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        4.919   2.471  -0.907  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        5.008   0.207   0.581  0.00  0.00    +0.142 A 
ATOM     11  F   LIG    1        6.249   0.560   0.945  0.00  0.00    -0.204 F 
ATOM     12  C   LIG    1        4.475  -0.975   1.087  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        3.181  -1.358   0.729  0.00  0.00    +0.013 A 
ENDBRANCH   2   6
BRANCH   3  14
ATOM     14  C   LIG    1       -0.196   0.943   0.565  0.00  0.00    +0.085 A 
ATOM     15  C   LIG    1       -0.969   2.011   0.102  0.00  0.00    +0.165 A 
ATOM     16  F   LIG    1       -1.562   1.947  -1.101  0.00  0.00    -0.202 F 
ATOM     17  C   LIG    1       -1.066   3.183   0.852  0.00  0.00    +0.078 A 
ATOM     18 CL   LIG    1       -2.009   4.509   0.288  0.00  0.00    -0.081 Cl
ATOM     19  C   LIG    1       -0.386   3.297   2.064  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1        0.398   2.238   2.525  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        0.497   1.061   1.778  0.00  0.00    +0.029 A 
ENDBRANCH   3  14
BRANCH   4  22
ATOM     22  C   LIG    1       -2.601  -0.697  -0.569  0.00  0.00    +0.018 A 
ATOM     23  C   LIG    1       -3.148  -0.536   0.713  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1       -4.514  -0.296   0.875  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.349  -0.229  -0.239  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.821  -0.413  -1.516  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -3.455  -0.653  -1.679  0.00  0.00    +0.011 A 
ENDBRANCH   4  22
BRANCH   1  29
ATOM     28  O   LIG    1        2.711  -3.085  -1.895  0.00  0.00    -0.243 OA
ATOM     29  C   LIG    1        1.496  -2.986  -2.003  0.00  0.00    +0.357 C 
BRANCH  29  30
ATOM     30  OXT LIG    1        0.827  -3.854  -2.798  0.00  0.00    -0.476 OA
ATOM     31  HXT LIG    1        1.530  -4.428  -3.158  0.00  0.00    +0.295 HD
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 5