REMARK  Name = BDB014961
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.867   3.592   4.121  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.474   3.110   3.811  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.236   2.620   2.532  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.839   2.246   2.240  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.762   1.407   1.014  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.675   0.701   0.435  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.066   0.080  -0.683  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.376   0.360  -0.813  0.00  0.00    -0.263 N 
ATOM      9  C   LIG    1       -2.832   1.177   0.174  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.198   1.710   0.385  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.122   2.889   1.379  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.599   3.148   4.677  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -3.124  -0.218  -1.926  0.00  0.00    +0.112 C 
ATOM     14  C   LIG    1       -2.478   0.096  -3.284  0.00  0.00    +0.055 C 
ATOM     15  C   LIG    1       -1.721  -1.116  -3.801  0.00  0.00    +0.162 C 
ATOM     16  O   LIG    1       -2.589  -2.230  -4.014  0.00  0.00    -0.380 OA
ATOM     17  C   LIG    1       -3.628  -2.395  -3.050  0.00  0.00    +0.162 C 
ATOM     18  C   LIG    1       -3.334  -1.724  -1.719  0.00  0.00    +0.055 C 
ENDBRANCH   8  13
BRANCH   6  19
ATOM     19  N   LIG    1        0.561   0.704   0.986  0.00  0.00    -0.296 N 
ATOM     20  H   LIG    1        0.705   1.226   1.846  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.766   0.070   0.601  0.00  0.00    +0.068 A 
ATOM     22  C   LIG    1        2.916   0.294   1.374  0.00  0.00    +0.145 A 
ATOM     23  F   LIG    1        2.831   1.095   2.450  0.00  0.00    -0.204 F 
ATOM     24  C   LIG    1        4.149  -0.282   1.069  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1        4.271  -1.116  -0.045  0.00  0.00    -0.012 A 
ATOM     26  C   LIG    1        3.135  -1.348  -0.831  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1        1.900  -0.762  -0.511  0.00  0.00    +0.027 A 
BRANCH  25  28
ATOM     28  C   LIG    1        5.542  -1.728  -0.396  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        6.558  -2.025   0.490  0.00  0.00    +0.116 A 
ATOM     30  N   LIG    1        7.556  -2.599  -0.245  0.00  0.00    -0.274 N 
ATOM     31  C   LIG    1        8.824  -3.083   0.241  0.00  0.00    +0.172 C 
ATOM     32  N   LIG    1        7.266  -2.700  -1.553  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1        6.042  -2.174  -1.643  0.00  0.00    +0.142 A 
ENDBRANCH  25  28
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 4