REMARK  Name = BDB020498
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.196  -1.866  -1.515  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1       -3.318  -1.882  -0.267  0.00  0.00    +0.172 C 
ATOM      3  N   LIG    1       -2.498  -0.685  -0.175  0.00  0.00    -0.314 N 
ATOM      4  C   LIG    1       -1.221  -0.643  -0.681  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1       -0.805   0.652  -0.472  0.00  0.00    +0.097 A 
ATOM      6  N   LIG    1       -1.789   1.380   0.145  0.00  0.00    -0.227 NA
ATOM      7  C   LIG    1       -0.630  -1.833  -1.316  0.00  0.00    +0.163 C 
ATOM      8  N   LIG    1       -1.118  -3.022  -0.633  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1       -0.319  -4.228  -0.767  0.00  0.00    +0.132 C 
ATOM     10  C   LIG    1       -2.802   0.555   0.332  0.00  0.00    +0.138 A 
ATOM     11  C   LIG    1       -2.456  -3.148  -0.264  0.00  0.00    +0.238 C 
ATOM     12  O   LIG    1       -2.958  -4.235   0.033  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   5  13
ATOM     13  C   LIG    1        0.479   1.205  -0.831  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1        0.568   2.240  -1.761  0.00  0.00    +0.135 A 
ATOM     15  F   LIG    1       -0.534   2.709  -2.368  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        1.793   2.808  -2.113  0.00  0.00    +0.067 A 
ATOM     17  C   LIG    1        2.944   2.294  -1.500  0.00  0.00    +0.072 A 
ATOM     18  C   LIG    1        2.904   1.250  -0.574  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1        4.266   1.038  -0.218  0.00  0.00    +0.103 A 
ATOM     20  N   LIG    1        5.087   1.897  -0.834  0.00  0.00    -0.170 NA
ATOM     21  N   LIG    1        4.271   2.631  -1.608  0.00  0.00    -0.266 N 
ATOM     22  C   LIG    1        4.829   3.678  -2.430  0.00  0.00    +0.173 C 
ATOM     23  C   LIG    1        1.647   0.710  -0.222  0.00  0.00    +0.025 A 
BRANCH  19  24
ATOM     24  C   LIG    1        4.780   0.031   0.706  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1        5.967   0.057   1.404  0.00  0.00    +0.118 A 
ATOM     26  N   LIG    1        6.013  -1.106   2.112  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        7.062  -1.538   3.003  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        4.942  -1.899   1.913  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        4.199  -1.205   1.045  0.00  0.00    +0.144 A 
ENDBRANCH  19  24
ENDBRANCH   5  13
BRANCH  10  30
ATOM     30  C   LIG    1       -4.066   0.826   0.928  0.00  0.00    -0.004 C 
ATOM     31  C   LIG    1       -4.483   0.361   2.306  0.00  0.00    +0.066 C 
ATOM     32  C   LIG    1       -5.598   1.238   2.870  0.00  0.00    +0.165 C 
ATOM     33  O   LIG    1       -6.645   1.351   1.905  0.00  0.00    -0.375 OA
ATOM     34  C   LIG    1       -6.223   2.098   0.761  0.00  0.00    +0.187 C 
ATOM     35  C   LIG    1       -4.886   1.654   0.249  0.00  0.00    +0.008 C 
ENDBRANCH  10  30
TORSDOF 3