REMARK  Name = BDB035935
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.495  -0.133  -1.070  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        1.971   0.548  -2.273  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.710  -0.174  -2.802  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.358  -0.282  -1.781  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.196  -0.980  -0.595  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.457  -0.290  -0.021  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        6.245   0.903   0.460  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1        5.637  -0.219   0.927  0.00  0.00    -0.249 NA
ATOM      9  C   LIG    1        4.423  -0.501   0.388  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        3.749   0.262  -0.580  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        4.440   1.394  -1.029  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        5.694   1.726  -0.508  0.00  0.00    +0.035 A 
BRANCH   7  16
ATOM     13  C   LIG    1        9.320   0.406   2.600  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        8.008   0.344   2.017  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        7.417  -0.471   2.160  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        7.588   1.226   1.043  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        8.238   2.192   0.661  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -1.517  -0.999  -2.337  0.00  0.00    +0.121 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.740  -0.917  -1.458  0.00  0.00    -0.013 A 
ATOM     20  C   LIG    1       -3.243   0.311  -1.015  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -4.382   0.331  -0.218  0.00  0.00    +0.068 A 
ATOM     22  C   LIG    1       -5.002  -0.872   0.114  0.00  0.00    +0.091 A 
ATOM     23  C   LIG    1       -6.211  -0.849   0.960  0.00  0.00    -0.009 A 
ATOM     24  C   LIG    1       -6.694   0.338   1.397  0.00  0.00    +0.087 A 
ATOM     25  C   LIG    1       -6.020   1.617   1.035  0.00  0.00    +0.258 A 
ATOM     26  O   LIG    1       -6.438   2.705   1.419  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -6.827  -2.184   1.278  0.00  0.00    +0.046 C 
ATOM     28  N   LIG    1       -4.542  -2.071  -0.309  0.00  0.00    -0.253 NA
ATOM     29  N   LIG    1       -4.904   1.539   0.248  0.00  0.00    -0.320 N 
ATOM     30  H   LIG    1       -4.458   2.416   0.012  0.00  0.00    +0.169 HD
ATOM     31  C   LIG    1       -3.430  -2.066  -1.082  0.00  0.00    +0.116 A 
BRANCH  24  32
ATOM     32  C   LIG    1       -7.903   0.513   2.256  0.00  0.00    +0.377 C 
ATOM     33  F   LIG    1       -9.004  -0.020   1.652  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1       -7.761  -0.166   3.431  0.00  0.00    -0.204 F 
ENDBRANCH  24  32
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 5