REMARK  Name = BDB031106
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.140  -2.722   0.181  0.00  0.00    +0.126 A 
ATOM      2  C   LIG    1        1.529  -3.998   0.583  0.00  0.00    +0.154 A 
ATOM      3  F   LIG    1        0.690  -5.041   0.514  0.00  0.00    -0.203 F 
ATOM      4  C   LIG    1        2.808  -4.190   1.075  0.00  0.00    +0.082 A 
ATOM      5  C   LIG    1        3.657  -3.096   1.131  0.00  0.00    +0.166 A 
ATOM      6  F   LIG    1        4.907  -3.264   1.591  0.00  0.00    -0.202 F 
ATOM      7  C   LIG    1        3.230  -1.836   0.682  0.00  0.00    +0.156 A 
ATOM      8  N   LIG    1        1.970  -1.646   0.227  0.00  0.00    -0.225 NA
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1       -2.990   0.494   0.299  0.00  0.00    +0.126 A 
ATOM     10  C   LIG    1       -3.159  -0.497  -0.605  0.00  0.00    +0.092 A 
ATOM     11  C   LIG    1       -2.154  -1.494  -0.773  0.00  0.00    +0.142 A 
ATOM     12  N   LIG    1       -0.999  -1.389   0.001  0.00  0.00    -0.298 N 
ATOM     13  C   LIG    1       -0.182  -2.449  -0.357  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1       -0.921  -3.152  -1.293  0.00  0.00    +0.141 A 
ATOM     15  C   LIG    1       -0.824  -0.380   0.949  0.00  0.00    +0.097 A 
ATOM     16  N   LIG    1       -2.124  -2.553  -1.553  0.00  0.00    -0.235 NA
ATOM     17  C   LIG    1       -1.780   0.549   1.111  0.00  0.00    +0.064 A 
BRANCH   9  18
ATOM     18  O   LIG    1       -3.849   1.524   0.586  0.00  0.00    -0.489 OA
BRANCH  18  20
ATOM     19  C   LIG    1       -4.937   2.343  -1.420  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1       -5.108   1.616  -0.090  0.00  0.00    +0.167 C 
ATOM     21  C   LIG    1       -6.040   2.409   0.824  0.00  0.00    +0.051 C 
ENDBRANCH  18  20
ENDBRANCH   9  18
ENDBRANCH   1  13
BRANCH   7  22
ATOM     22  N   LIG    1        4.114  -0.745   0.789  0.00  0.00    -0.320 N 
ATOM     23  H   LIG    1        5.051  -1.068   0.542  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.741   0.451   0.015  0.00  0.00    +0.121 C 
ATOM     25  C   LIG    1        4.892   1.456  -0.024  0.00  0.00    +0.201 C 
ATOM     26  F   LIG    1        5.726   1.179  -1.057  0.00  0.00    -0.242 F 
ATOM     27  C   LIG    1        4.176   2.775  -0.237  0.00  0.00    +0.119 C 
ATOM     28  N   LIG    1        3.013   2.693   0.648  0.00  0.00    -0.311 NA
ATOM     29  H   LIG    1        2.255   3.289   0.314  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1        2.602   1.275   0.645  0.00  0.00    +0.106 C 
ENDBRANCH  22  24
ENDBRANCH   7  22
TORSDOF 5