REMARK  Name = BDB004063
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  F   LIG    1       -2.916   3.971  -0.800  0.00  0.00    -0.200 F 
ATOM      2  C   LIG    1       -2.053   2.975  -0.559  0.00  0.00    +0.181 A 
ATOM      3  C   LIG    1       -2.453   1.651  -0.522  0.00  0.00    +0.164 A 
ATOM      4  N   LIG    1       -1.562   0.666  -0.282  0.00  0.00    -0.196 NA
ATOM      5  C   LIG    1       -0.271   0.992  -0.093  0.00  0.00    +0.221 A 
ATOM      6  N   LIG    1        0.182   2.255  -0.120  0.00  0.00    -0.220 NA
ATOM      7  C   LIG    1       -0.723   3.225  -0.352  0.00  0.00    +0.156 A 
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1       -3.829   1.365  -0.702  0.00  0.00    -0.296 N 
ATOM      9  H   LIG    1       -4.228   1.961  -1.426  0.00  0.00    +0.154 HD
BRANCH   8  10
ATOM     10  C   LIG    1       -4.506   0.125  -0.622  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1       -5.675  -0.095  -1.381  0.00  0.00    +0.062 A 
ATOM     12 CL   LIG    1       -6.259   1.123  -2.467  0.00  0.00    -0.082 Cl
ATOM     13  C   LIG    1       -6.386  -1.295  -1.294  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1       -5.950  -2.297  -0.431  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -4.812  -2.093   0.345  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -4.103  -0.890   0.255  0.00  0.00    +0.025 A 
ENDBRANCH   8  10
ENDBRANCH   3   8
BRANCH   5  17
ATOM     17  N   LIG    1        0.574  -0.091   0.133  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        0.030  -0.941   0.084  0.00  0.00    +0.155 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.944  -0.228   0.368  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        2.472  -1.516   0.532  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        3.836  -1.722   0.773  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        4.723  -0.643   0.859  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        4.203   0.646   0.697  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        2.834   0.845   0.456  0.00  0.00    +0.024 A 
BRANCH  22  25
ATOM     25  C   LIG    1        6.139  -0.898   1.111  0.00  0.00    +0.179 A 
ATOM     26  N   LIG    1        7.121   0.052   1.212  0.00  0.00    -0.239 N 
ATOM     27  H   LIG    1        7.061   1.057   1.137  0.00  0.00    +0.192 HD
ATOM     28  N   LIG    1        8.309  -0.519   1.447  0.00  0.00    -0.046 NA
ATOM     29  N   LIG    1        8.060  -1.818   1.490  0.00  0.00    -0.023 NA
ATOM     30  N   LIG    1        6.726  -2.069   1.284  0.00  0.00    -0.108 NA
ENDBRANCH  22  25
ENDBRANCH  17  19
ENDBRANCH   5  17
TORSDOF 5