REMARK  Name = BDB006960
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.270   0.977   0.064  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.339  -0.130  -0.509  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.599  -0.648  -0.155  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        1.906  -1.751  -0.942  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        3.106  -2.394  -0.745  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        3.997  -1.994   0.187  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1        3.679  -0.907   0.963  0.00  0.00    +0.116 A 
ATOM      8  C   LIG    1        0.826  -2.045  -1.946  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        0.303  -3.480  -1.828  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        1.317  -1.770  -3.372  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        2.481  -0.205   0.811  0.00  0.00    +0.053 A 
ATOM     12  C   LIG    1       -0.259  -1.018  -1.526  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1        0.244   1.672   0.944  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1        4.697  -0.429   2.013  0.00  0.00    +0.315 C 
ATOM     15  F   LIG    1        5.360  -1.490   2.581  0.00  0.00    -0.193 F 
ATOM     16  F   LIG    1        4.058   0.152   3.084  0.00  0.00    -0.193 F 
BRANCH  14  17
ATOM     17  C   LIG    1        5.690   0.548   1.388  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1        6.801   0.071   0.673  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        7.703   0.960   0.087  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        7.505   2.334   0.208  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        6.406   2.822   0.913  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        5.502   1.936   1.500  0.00  0.00    +0.010 A 
ENDBRANCH  14  17
ENDBRANCH   7  14
BRANCH   1  23
ATOM     23  C   LIG    1       -1.668   1.347  -0.458  0.00  0.00    +0.181 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -4.005   0.675  -0.685  0.00  0.00    +0.097 C 
ATOM     25  N   LIG    1       -2.697   0.370  -0.044  0.00  0.00    -0.286 NA
ATOM     26  C   LIG    1       -2.846   0.264   1.426  0.00  0.00    +0.103 C 
ATOM     27  C   LIG    1       -3.722   1.322   2.158  0.00  0.00    +0.065 C 
ATOM     28  C   LIG    1       -2.984   2.625   2.470  0.00  0.00    +0.025 C 
ATOM     29  N   LIG    1       -4.998   1.605   1.474  0.00  0.00    -0.311 NA
ATOM     30  H   LIG    1       -5.614   0.800   1.593  0.00  0.00    +0.122 HD
ATOM     31  C   LIG    1       -4.797   1.808   0.028  0.00  0.00    +0.102 C 
BRANCH  24  32
ATOM     32  C   LIG    1       -4.848  -0.617  -0.811  0.00  0.00    +0.179 C 
BRANCH  32  34
ATOM     33  C   LIG    1       -6.795  -1.533  -1.780  0.00  0.00    +0.194 C 
ATOM     34  O   LIG    1       -5.988  -0.371  -1.640  0.00  0.00    -0.381 OA
ENDBRANCH  32  34
ENDBRANCH  24  32
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 6