REMARK  Name = BDB064919
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.424  -2.485  -1.586  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.481  -1.552  -1.085  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1       -0.103  -0.171  -0.731  0.00  0.00    +0.127 C 
ATOM      4  C   LIG    1       -1.308   0.784  -0.652  0.00  0.00    +0.125 C 
ATOM      5  N   LIG    1       -2.359   0.220   0.221  0.00  0.00    -0.312 N 
ATOM      6  C   LIG    1       -2.813  -1.105  -0.251  0.00  0.00    +0.125 C 
ATOM      7  C   LIG    1       -1.625  -2.080  -0.329  0.00  0.00    +0.127 C 
ATOM      8  O   LIG    1        0.194  -3.698  -1.541  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -3.434   1.111   0.417  0.00  0.00    +0.121 A 
ATOM     10  N   LIG    1       -3.535   2.227  -0.339  0.00  0.00    -0.240 NA
ATOM     11  C   LIG    1       -4.572   3.070  -0.116  0.00  0.00    +0.125 A 
ATOM     12  C   LIG    1       -5.548   2.867   0.843  0.00  0.00    +0.073 A 
ATOM     13  C   LIG    1       -5.429   1.727   1.635  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1       -4.368   0.848   1.420  0.00  0.00    +0.044 A 
BRANCH  12  15
ATOM     15  C   LIG    1       -6.644   3.867   1.032  0.00  0.00    +0.419 C 
ATOM     16  F   LIG    1       -7.787   3.319   1.531  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1       -7.006   4.488  -0.125  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1       -6.298   4.860   1.897  0.00  0.00    -0.166 F 
ENDBRANCH  12  15
ENDBRANCH   5   9
BRANCH   1  19
ATOM     19  C   LIG    1        1.705  -1.998  -2.228  0.00  0.00    +0.239 C 
BRANCH  19  24
ATOM     20  C   LIG    1        5.039   0.264   0.524  0.00  0.00    +0.064 A 
ATOM     21  C   LIG    1        4.190  -0.676  -0.101  0.00  0.00    +0.105 A 
ATOM     22  C   LIG    1        4.267  -2.071   0.271  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        3.348  -2.746  -0.480  0.00  0.00    +0.117 A 
ATOM     24  N   LIG    1        2.747  -1.785  -1.243  0.00  0.00    -0.261 N 
ATOM     25  C   LIG    1        5.108  -2.651   1.213  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        5.939  -1.688   1.820  0.00  0.00    +0.001 A 
ATOM     27  N   LIG    1        3.240  -0.537  -1.054  0.00  0.00    -0.170 NA
ATOM     28  C   LIG    1        5.910  -0.296   1.494  0.00  0.00    +0.015 A 
BRANCH  20  32
ATOM     29  N   LIG    1        4.205   2.149  -0.749  0.00  0.00    -0.325 N 
ATOM     30  H   LIG    1        3.602   1.504  -1.252  0.00  0.00    +0.145 HD
ATOM     31  H   LIG    1        4.192   3.133  -0.975  0.00  0.00    +0.145 HD
ATOM     32  C   LIG    1        5.048   1.706   0.227  0.00  0.00    +0.244 C 
ATOM     33  O   LIG    1        5.783   2.476   0.832  0.00  0.00    -0.270 OA
ENDBRANCH  20  32
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 5