REMARK  Name = BDB021908
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.742  -0.486   1.629  0.00  0.00    +0.077 C 
ATOM      2  C   LIG    1        0.054  -1.226   0.469  0.00  0.00    +0.041 C 
ATOM      3  C   LIG    1       -1.369  -0.732   0.240  0.00  0.00    +0.110 C 
ATOM      4  N   LIG    1       -2.191  -0.856   1.447  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -3.560  -1.123   1.447  0.00  0.00    +0.249 C 
ATOM      6  O   LIG    1       -4.182  -1.444   2.458  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -1.502  -0.835   2.734  0.00  0.00    +0.110 C 
ATOM      8  C   LIG    1       -0.252   0.030   2.678  0.00  0.00    +0.041 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.316  -1.055   0.183  0.00  0.00    +0.072 A 
ATOM     10  C   LIG    1       -4.357   0.113  -0.575  0.00  0.00    +0.135 A 
ATOM     11  F   LIG    1       -3.690   1.211  -0.191  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -5.102   0.165  -1.751  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -5.824  -0.956  -2.164  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -5.807  -2.122  -1.396  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -5.059  -2.172  -0.217  0.00  0.00    +0.016 A 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     16  O   LIG    1        3.267  -0.744   0.440  0.00  0.00    -0.252 OA
ATOM     17  C   LIG    1        2.799   0.380   0.560  0.00  0.00    +0.304 C 
ATOM     18  N   LIG    1        1.575   0.619   1.153  0.00  0.00    -0.296 N 
ATOM     19  H   LIG    1        1.090   1.445   0.834  0.00  0.00    +0.151 HD
ATOM     20  N   LIG    1        3.383   1.557   0.158  0.00  0.00    -0.267 N 
ATOM     21  H   LIG    1        2.970   2.406   0.522  0.00  0.00    +0.156 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.605   1.724  -0.538  0.00  0.00    +0.072 A 
ATOM     23  C   LIG    1        5.122   3.010  -0.741  0.00  0.00    +0.150 A 
ATOM     24 CL   LIG    1        4.306   4.413  -0.154  0.00  0.00    -0.060 Cl
ATOM     25  N   LIG    1        6.270   3.299  -1.395  0.00  0.00    -0.242 NA
ATOM     26  C   LIG    1        6.955   2.245  -1.882  0.00  0.00    +0.112 A 
ATOM     27  C   LIG    1        6.538   0.931  -1.746  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        5.346   0.670  -1.067  0.00  0.00    +0.028 A 
ENDBRANCH  20  22
ENDBRANCH   1  18
TORSDOF 3