REMARK  Name = BDB034498
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.431  -1.658  -1.990  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1        1.388  -0.940  -1.262  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1        0.069  -1.399  -1.407  0.00  0.00    +0.265 C 
ATOM      4  O   LIG    1       -0.187  -2.498  -1.905  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.103  -0.573  -0.955  0.00  0.00    +0.128 A 
ATOM      6  N   LIG    1       -0.964   0.780  -0.926  0.00  0.00    -0.248 NA
ATOM      7  C   LIG    1       -2.055   1.505  -0.565  0.00  0.00    +0.141 A 
ATOM      8  C   LIG    1       -3.288   0.964  -0.232  0.00  0.00    +0.108 A 
ATOM      9  N   LIG    1       -4.364   1.805   0.133  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -5.518   1.278   0.446  0.00  0.00    +0.143 A 
ATOM     11  C   LIG    1       -5.675  -0.147   0.408  0.00  0.00    +0.106 A 
ATOM     12  N   LIG    1       -4.633  -0.963   0.046  0.00  0.00    -0.294 N 
ATOM     13  C   LIG    1       -5.085  -2.252   0.097  0.00  0.00    +0.204 A 
ATOM     14  N   LIG    1       -6.344  -2.307   0.481  0.00  0.00    -0.243 NA
ATOM     15  C   LIG    1       -6.718  -1.001   0.684  0.00  0.00    +0.142 A 
ATOM     16  C   LIG    1       -3.381  -0.432  -0.288  0.00  0.00    +0.077 A 
ATOM     17  C   LIG    1       -2.296  -1.223  -0.653  0.00  0.00    +0.061 A 
BRANCH  10  18
ATOM     18  N   LIG    1       -6.527   2.132   0.783  0.00  0.00    -0.341 N 
ATOM     19  H   LIG    1       -6.324   3.089   0.513  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1       -7.462   1.838   0.534  0.00  0.00    +0.144 HD
ENDBRANCH  10  18
ENDBRANCH   3   5
BRANCH   2  21
ATOM     21  C   LIG    1        1.761   0.262  -0.491  0.00  0.00    +0.149 C 
ATOM     22  C   LIG    1        3.114   0.225   0.118  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1        3.946   1.106  -0.533  0.00  0.00    +0.220 A 
ATOM     24  N   LIG    1        5.240   1.305  -0.258  0.00  0.00    -0.209 NA
ATOM     25  C   LIG    1        5.748   0.562   0.769  0.00  0.00    +0.147 A 
ATOM     26  C   LIG    1        4.959  -0.352   1.495  0.00  0.00    +0.033 A 
ATOM     27  O   LIG    1        3.339   1.792  -1.567  0.00  0.00    -0.474 OA
ATOM     28  C   LIG    1        3.616  -0.527   1.161  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        1.929   1.525  -1.365  0.00  0.00    +0.258 C 
BRANCH  25  30
ATOM     30  C   LIG    1        7.208   0.739   1.169  0.00  0.00    +0.434 C 
ATOM     31  F   LIG    1        7.344   1.410   2.350  0.00  0.00    -0.164 F 
ATOM     32  F   LIG    1        7.843  -0.457   1.358  0.00  0.00    -0.164 F 
ATOM     33  F   LIG    1        7.966   1.417   0.263  0.00  0.00    -0.164 F 
ENDBRANCH  25  30
ENDBRANCH   2  21
TORSDOF 4