REMARK  Name = BDB016961
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.769   2.725  -0.700  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -1.396   2.296  -0.589  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -0.953   1.028  -0.276  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.435   1.141  -0.286  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1        0.811   2.437  -0.599  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -0.308   3.098  -0.773  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.840  -0.096  -0.011  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -2.212  -0.403   1.302  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -3.055  -1.484   1.546  0.00  0.00    +0.142 A 
ATOM     10  F   LIG    1       -3.401  -1.757   2.813  0.00  0.00    -0.204 F 
ATOM     11  C   LIG    1       -3.535  -2.264   0.495  0.00  0.00    +0.076 A 
ATOM     12 CL   LIG    1       -4.581  -3.597   0.795  0.00  0.00    -0.081 Cl
ATOM     13  C   LIG    1       -3.167  -1.963  -0.817  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -2.320  -0.881  -1.068  0.00  0.00    +0.011 A 
ENDBRANCH   3   7
BRANCH   4  15
ATOM     15  C   LIG    1        1.414   0.087  -0.016  0.00  0.00    +0.092 A 
ATOM     16  N   LIG    1        0.948  -1.155   0.271  0.00  0.00    -0.253 NA
ATOM     17  C   LIG    1        1.850  -2.127   0.523  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1        3.215  -1.927   0.503  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1        3.680  -0.647   0.206  0.00  0.00    +0.062 A 
ATOM     20  C   LIG    1        2.772   0.378  -0.058  0.00  0.00    +0.045 A 
BRANCH  19  21
ATOM     21  C   LIG    1        5.143  -0.427   0.182  0.00  0.00    +0.337 C 
ATOM     22  O   LIG    1        5.990  -1.274   0.399  0.00  0.00    -0.245 OA
BRANCH  21  23
ATOM     23  O   LIG    1        5.477   0.841  -0.111  0.00  0.00    -0.477 OA
ATOM     24  H   LIG    1        6.457   0.844  -0.091  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH   4  15
TORSDOF 4