REMARK  Name = BDB004058
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  F   LIG    1        5.089   2.746   2.760  0.00  0.00    -0.200 F 
ATOM      2  C   LIG    1        4.116   2.188   2.027  0.00  0.00    +0.181 A 
ATOM      3  C   LIG    1        4.389   1.318   0.986  0.00  0.00    +0.164 A 
ATOM      4  N   LIG    1        3.389   0.765   0.266  0.00  0.00    -0.196 NA
ATOM      5  C   LIG    1        2.117   1.063   0.588  0.00  0.00    +0.221 A 
ATOM      6  N   LIG    1        1.787   1.897   1.587  0.00  0.00    -0.220 NA
ATOM      7  C   LIG    1        2.797   2.445   2.288  0.00  0.00    +0.156 A 
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1        5.746   1.057   0.674  0.00  0.00    -0.296 N 
ATOM      9  H   LIG    1        6.298   0.966   1.526  0.00  0.00    +0.154 HD
BRANCH   8  10
ATOM     10  C   LIG    1        6.293   0.291  -0.382  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1        7.539  -0.350  -0.222  0.00  0.00    +0.062 A 
ATOM     12 CL   LIG    1        8.384  -0.263   1.288  0.00  0.00    -0.082 Cl
ATOM     13  C   LIG    1        8.122  -1.082  -1.261  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1        7.475  -1.174  -2.491  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        6.255  -0.530  -2.679  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        5.675   0.201  -1.637  0.00  0.00    +0.025 A 
ENDBRANCH   8  10
ENDBRANCH   3   8
BRANCH   5  17
ATOM     17  N   LIG    1        1.158   0.435  -0.199  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        1.624  -0.165  -0.864  0.00  0.00    +0.155 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -0.241   0.431  -0.216  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1       -0.896  -0.362  -1.173  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -2.293  -0.411  -1.252  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -3.079   0.335  -0.370  0.00  0.00    -0.033 A 
ATOM     23  C   LIG    1       -2.435   1.135   0.581  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -1.036   1.178   0.655  0.00  0.00    +0.023 A 
BRANCH  22  25
ATOM     25  C   LIG    1       -4.590   0.302  -0.457  0.00  0.00    +0.119 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -5.242  -0.064   0.811  0.00  0.00    -0.294 NA
ATOM     27  C   LIG    1       -6.707   0.129   0.738  0.00  0.00    +0.113 C 
ATOM     28  C   LIG    1       -7.440  -0.939  -0.093  0.00  0.00    +0.175 C 
ATOM     29  O   LIG    1       -7.152  -2.260   0.381  0.00  0.00    -0.377 OA
ATOM     30  C   LIG    1       -5.741  -2.509   0.375  0.00  0.00    +0.175 C 
ATOM     31  C   LIG    1       -4.982  -1.465   1.212  0.00  0.00    +0.113 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  17  19
ENDBRANCH   5  17
TORSDOF 6