REMARK  Name = BDB042425
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.367  -0.775   0.233  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        0.621  -1.929  -0.050  0.00  0.00    +0.133 A 
ATOM      3  F   LIG    1        1.243  -3.069  -0.391  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.774  -1.943  -0.007  0.00  0.00    +0.064 A 
ATOM      5  C   LIG    1       -1.478  -0.783   0.325  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1       -0.750   0.401   0.603  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        0.651   0.387   0.570  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   5   8
ATOM      8  N   LIG    1       -2.894  -0.718   0.344  0.00  0.00    -0.326 N 
ATOM      9  C   LIG    1       -3.437  -0.485  -1.020  0.00  0.00    +0.120 C 
ATOM     10  C   LIG    1       -4.966  -0.702  -1.043  0.00  0.00    +0.103 C 
ATOM     11  N   LIG    1       -5.408  -2.054  -0.635  0.00  0.00    -0.302 NA
ATOM     12  C   LIG    1       -5.799  -2.869  -1.782  0.00  0.00    +0.105 C 
ATOM     13  C   LIG    1       -4.376  -2.746   0.168  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1       -3.579  -1.800   1.095  0.00  0.00    +0.120 C 
ENDBRANCH   5   8
BRANCH   1  18
ATOM     15  C   LIG    1        5.675  -0.731   0.100  0.00  0.00    +0.059 A 
ATOM     16  C   LIG    1        4.935   0.266  -0.546  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        3.536   0.245  -0.501  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1        2.841  -0.766   0.186  0.00  0.00    -0.015 A 
ATOM     19  C   LIG    1        3.599  -1.759   0.829  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        4.998  -1.744   0.788  0.00  0.00    +0.015 A 
BRANCH  15  21
ATOM     21  C   LIG    1        7.163  -0.761   0.087  0.00  0.00    +0.339 C 
ATOM     22  O   LIG    1        7.825  -1.618   0.650  0.00  0.00    -0.245 OA
BRANCH  21  24
ATOM     23  C   LIG    1        9.084   0.321  -0.682  0.00  0.00    +0.280 C 
ATOM     24  O   LIG    1        7.657   0.283  -0.625  0.00  0.00    -0.464 OA
ENDBRANCH  21  24
ENDBRANCH  15  21
ENDBRANCH   1  18
BRANCH   6  25
ATOM     25  N   LIG    1       -1.486   1.548   1.000  0.00  0.00    -0.296 N 
ATOM     26  H   LIG    1       -2.480   1.326   0.889  0.00  0.00    +0.154 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.259   2.897   0.619  0.00  0.00    +0.148 A 
ATOM     28  C   LIG    1       -2.126   3.860   1.149  0.00  0.00    +0.102 A 
ATOM     29  C   LIG    1       -1.909   5.138   0.651  0.00  0.00    +0.155 A 
ATOM     30 CL   LIG    1       -2.929   6.454   1.104  0.00  0.00    -0.060 Cl
ATOM     31  N   LIG    1       -0.913   5.502  -0.174  0.00  0.00    -0.222 NA
ATOM     32  C   LIG    1       -0.112   4.505  -0.549  0.00  0.00    +0.225 A 
ATOM     33  N   LIG    1       -0.233   3.218  -0.197  0.00  0.00    -0.219 NA
BRANCH  28  34
ATOM     34  N   LIG    1       -3.251   3.494   1.930  0.00  0.00    -0.353 N 
ATOM     35  H   LIG    1       -3.048   2.685   2.517  0.00  0.00    +0.143 HD
ATOM     36  H   LIG    1       -3.619   4.276   2.469  0.00  0.00    +0.143 HD
ENDBRANCH  28  34
ENDBRANCH  25  27
ENDBRANCH   6  25
TORSDOF 7