REMARK  Name = BDB012668
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.714  -0.183  -0.458  0.00  0.00    -0.262 N 
ATOM      2  C   LIG    1        1.804  -0.902   0.707  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1        0.486  -1.046   1.136  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        0.232  -1.751   2.329  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        1.313  -2.278   3.036  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1        2.621  -2.123   2.595  0.00  0.00    +0.040 A 
ATOM      7  F   LIG    1        1.081  -2.950   4.172  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -0.308  -0.373   0.156  0.00  0.00    +0.153 A 
ATOM      9  C   LIG    1        2.897  -1.428   1.415  0.00  0.00    +0.031 A 
ATOM     10  N   LIG    1        0.459   0.146  -0.805  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   8  11
ATOM     11  N   LIG    1       -1.658  -0.308   0.253  0.00  0.00    -0.296 N 
ATOM     12  H   LIG    1       -2.093  -0.763   1.057  0.00  0.00    +0.154 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -2.640   0.290  -0.570  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1       -4.015   0.221  -0.258  0.00  0.00    +0.083 A 
ATOM     15  C   LIG    1       -4.966   0.824  -1.094  0.00  0.00    +0.036 A 
ATOM     16  C   LIG    1       -4.533   1.484  -2.224  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1       -3.238   1.579  -2.567  0.00  0.00    -0.261 NA
ATOM     18  C   LIG    1       -2.334   0.986  -1.741  0.00  0.00    +0.134 A 
BRANCH  14  19
ATOM     19  C   LIG    1       -4.572  -0.468   0.938  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1       -5.755  -0.541   1.224  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -3.650  -1.042   1.737  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -4.203  -1.434   2.451  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  14  19
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  23
ATOM     23  C   LIG    1        2.810   0.238  -1.314  0.00  0.00    +0.144 C 
BRANCH  23  25
ATOM     24  C   LIG    1        4.503   2.031  -1.813  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        3.359   1.602  -0.908  0.00  0.00    +0.020 C 
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 6