REMARK  Name = BDB017709
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.135   1.144   3.216  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -4.606   0.705   2.199  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -5.286   0.744   0.877  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -6.677   1.322   0.840  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -7.429   0.992  -0.456  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1       -6.517   1.127  -1.671  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1       -5.330   0.317  -1.460  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -4.721   0.201  -2.271  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -4.681   0.280  -0.235  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -3.313  -0.280  -0.148  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1       -2.689  -0.334   1.108  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -1.400  -0.859   1.265  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -0.692  -1.338   0.155  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1       -1.306  -1.289  -1.103  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1       -2.591  -0.764  -1.245  0.00  0.00    +0.135 A 
ATOM     16  F   LIG    1       -3.112  -0.723  -2.482  0.00  0.00    -0.205 F 
ATOM     17  N   LIG    1       -3.356   0.155   2.236  0.00  0.00    -0.322 N 
ATOM     18  H   LIG    1       -2.918   0.133   3.146  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  19
ATOM     19  C   LIG    1        0.696  -1.922   0.314  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.684  -1.318  -0.590  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        2.907  -2.158  -0.643  0.00  0.00    +0.103 C 
ATOM     22  C   LIG    1        4.224  -1.371  -0.822  0.00  0.00    +0.122 C 
ATOM     23  N   LIG    1        4.400  -0.456   0.318  0.00  0.00    -0.313 N 
ATOM     24  C   LIG    1        3.195   0.275   0.745  0.00  0.00    +0.122 C 
ATOM     25  C   LIG    1        2.015   0.080  -0.238  0.00  0.00    +0.103 C 
BRANCH  23  26
ATOM     26  C   LIG    1        5.624   0.206   0.375  0.00  0.00    +0.121 A 
ATOM     27  N   LIG    1        6.511   0.034  -0.631  0.00  0.00    -0.240 NA
ATOM     28  C   LIG    1        7.705   0.666  -0.561  0.00  0.00    +0.113 A 
ATOM     29  C   LIG    1        8.088   1.478   0.487  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        7.193   1.644   1.531  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        5.957   1.000   1.476  0.00  0.00    +0.043 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  13  19
TORSDOF 3