REMARK  Name = BDB012708
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.848  -0.317   0.812  0.00  0.00    -0.345 N 
ATOM      2  C   LIG    1        1.671  -1.581   0.285  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        0.331  -1.668  -0.111  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -0.129  -2.870  -0.688  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        0.763  -3.929  -0.844  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1        2.088  -3.830  -0.447  0.00  0.00    +0.040 A 
ATOM      7  F   LIG    1        0.329  -5.073  -1.392  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -0.283  -0.413   0.186  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1        2.569  -2.651   0.127  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1        0.665   0.380   0.784  0.00  0.00    +0.110 A 
ENDROOT
BRANCH   8  11
ATOM     11  N   LIG    1       -1.589  -0.132  -0.034  0.00  0.00    -0.311 N 
ATOM     12  H   LIG    1       -2.208  -0.929  -0.220  0.00  0.00    +0.152 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -2.308   1.086  -0.094  0.00  0.00    +0.064 A 
ATOM     14  C   LIG    1       -3.709   1.126   0.058  0.00  0.00    +0.083 A 
ATOM     15  C   LIG    1       -4.394   2.349   0.062  0.00  0.00    +0.036 A 
ATOM     16  C   LIG    1       -3.663   3.510  -0.088  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1       -2.328   3.528  -0.247  0.00  0.00    -0.261 NA
ATOM     18  C   LIG    1       -1.692   2.327  -0.247  0.00  0.00    +0.134 A 
BRANCH  14  19
ATOM     19  C   LIG    1       -4.475  -0.139   0.188  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1       -4.039  -1.258  -0.023  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -5.750   0.049   0.573  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -6.122  -0.857   0.628  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        3.085   0.202   1.374  0.00  0.00    +0.121 C 
BRANCH  23  25
ATOM     24  C   LIG    1        3.594   1.939  -0.416  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        4.077   0.699   0.323  0.00  0.00    +0.018 C 
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 6