REMARK  Name = BDB022953
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.891  -3.433   0.460  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -1.775  -2.705  -0.299  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -1.713  -1.274   0.095  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -2.712  -0.428  -0.380  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -3.598  -0.855  -1.125  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -0.502  -0.828   0.801  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        0.743  -1.317   0.099  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        0.748  -2.620  -0.356  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        1.911  -3.031  -0.956  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        2.977  -2.226  -1.118  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        2.875  -0.967  -0.663  0.00  0.00    +0.216 A 
ATOM     12  N   LIG    1        1.793  -0.483  -0.038  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1       -0.446  -3.483  -0.113  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -2.712   1.047   0.055  0.00  0.00    +0.089 C 
ATOM     15  C   LIG    1       -3.734   1.851  -0.781  0.00  0.00    +0.119 C 
ATOM     16  C   LIG    1       -5.178   1.699  -0.274  0.00  0.00    +0.097 C 
ATOM     17  N   LIG    1       -5.381   1.432   1.155  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -5.837   0.068   1.414  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -4.252   1.817   1.987  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -2.933   1.165   1.576  0.00  0.00    +0.028 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -3.319   3.306  -0.917  0.00  0.00    +0.395 C 
ATOM     22  F   LIG    1       -4.183   3.993  -1.696  0.00  0.00    -0.170 F 
ATOM     23  F   LIG    1       -2.103   3.393  -1.510  0.00  0.00    -0.170 F 
ATOM     24  F   LIG    1       -3.226   3.948   0.262  0.00  0.00    -0.170 F 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  25
ATOM     25  N   LIG    1        3.925  -0.079  -0.816  0.00  0.00    -0.309 N 
ATOM     26  H   LIG    1        3.774   0.678  -0.159  0.00  0.00    +0.149 HD
BRANCH  25  27
ATOM     27  C   LIG    1        5.236  -0.687  -0.763  0.00  0.00    +0.139 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.285   0.401  -0.718  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        7.006   0.657   0.457  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        7.967   1.670   0.491  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.212   2.439  -0.645  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.496   2.200  -1.817  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        6.536   1.188  -1.853  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH  11  25
TORSDOF 5