REMARK  Name = BDB002707
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.368  -0.184   1.049  0.00  0.00    -0.300 NA
ATOM      2  C   LIG    1       -3.187  -1.294   0.089  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -2.090  -1.099  -0.982  0.00  0.00    +0.123 C 
ATOM      4  N   LIG    1       -0.873  -0.488  -0.454  0.00  0.00    -0.296 N 
ATOM      5  C   LIG    1        0.343  -0.844  -1.012  0.00  0.00    +0.240 C 
ATOM      6  O   LIG    1        0.441  -1.630  -1.952  0.00  0.00    -0.271 OA
ATOM      7  C   LIG    1       -1.071   0.599   0.510  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1       -2.551   0.985   0.696  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1       -5.554  -0.936   1.954  0.00  0.00    +0.020 C 
ATOM     10  C   LIG    1       -4.772   0.176   1.262  0.00  0.00    +0.081 C 
ENDBRANCH   1  10
BRANCH   5  11
ATOM     11  C   LIG    1        1.561  -0.229  -0.416  0.00  0.00    +0.068 C 
ATOM     12  C   LIG    1        2.733  -0.308  -1.066  0.00  0.00    +0.017 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.997   0.255  -0.556  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        4.883   0.960  -1.391  0.00  0.00    +0.051 A 
ATOM     15 CL   LIG    1        4.523   1.279  -3.055  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1        6.097   1.459  -0.897  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1        6.453   1.256   0.435  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        5.596   0.553   1.274  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        4.389   0.059   0.778  0.00  0.00    +0.132 A 
ATOM     20  F   LIG    1        3.602  -0.624   1.625  0.00  0.00    -0.205 F 
ENDBRANCH  12  13
ENDBRANCH   5  11
TORSDOF 3