REMARK  Name = BDB063552
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.525   0.454  -0.051  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1        0.161   0.174  -0.227  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1       -0.850   1.153  -0.084  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.294   0.840  -0.320  0.00  0.00    +0.085 A 
ATOM      5  N   LIG    1       -2.581  -0.384  -0.928  0.00  0.00    -0.332 N 
ATOM      6  H   LIG    1       -1.793  -0.822  -1.394  0.00  0.00    +0.147 HD
ATOM      7  C   LIG    1       -3.538  -1.375  -0.420  0.00  0.00    +0.146 C 
ATOM      8  C   LIG    1       -4.886  -0.792   0.035  0.00  0.00    +0.300 C 
ATOM      9  F   LIG    1       -5.869  -1.703  -0.232  0.00  0.00    -0.200 F 
ATOM     10  F   LIG    1       -4.923  -0.595   1.380  0.00  0.00    -0.200 F 
ATOM     11  C   LIG    1       -5.209   0.503  -0.691  0.00  0.00    +0.306 C 
ATOM     12  O   LIG    1       -4.595   1.655  -0.127  0.00  0.00    -0.479 OA
ATOM     13  C   LIG    1       -3.224   1.768   0.014  0.00  0.00    +0.207 A 
ATOM     14  C   LIG    1       -2.806   3.113   0.556  0.00  0.00    +0.295 A 
ATOM     15  N   LIG    1       -1.455   3.413   0.605  0.00  0.00    -0.308 N 
ATOM     16  C   LIG    1       -1.067   4.741   1.060  0.00  0.00    +0.152 C 
ATOM     17  O   LIG    1       -3.675   3.917   0.905  0.00  0.00    -0.264 OA
ATOM     18  C   LIG    1       -0.462   2.439   0.320  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1        0.904   2.730   0.480  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        1.883   1.753   0.283  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   7  21
ATOM     21  C   LIG    1       -2.857  -2.193   0.652  0.00  0.00    +0.015 C 
ATOM     22  C   LIG    1       -3.206  -3.647   0.850  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1       -1.863  -3.271   0.290  0.00  0.00    +0.006 C 
ENDBRANCH   7  21
BRANCH   1  24
ATOM     24  N   LIG    1        2.455  -0.583  -0.256  0.00  0.00    -0.313 N 
ATOM     25  H   LIG    1        2.160  -1.456   0.181  0.00  0.00    +0.152 HD
BRANCH  24  30
ATOM     26  C   LIG    1        7.014  -2.524   0.343  0.00  0.00    +0.067 C 
ATOM     27  C   LIG    1        6.066  -1.491  -0.193  0.00  0.00    +0.058 A 
ATOM     28  C   LIG    1        4.689  -1.555   0.043  0.00  0.00    +0.083 A 
ATOM     29 CL   LIG    1        3.995  -2.846   0.971  0.00  0.00    -0.080 Cl
ATOM     30  C   LIG    1        3.853  -0.549  -0.480  0.00  0.00    +0.053 A 
ATOM     31  C   LIG    1        4.442   0.463  -1.240  0.00  0.00    +0.044 A 
ATOM     32  C   LIG    1        5.813   0.449  -1.430  0.00  0.00    +0.113 A 
ATOM     33  N   LIG    1        6.632  -0.495  -0.922  0.00  0.00    -0.259 NA
ENDBRANCH  24  30
ENDBRANCH   1  24
TORSDOF 3