REMARK  Name = BDB013147
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.407  -0.196   0.578  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.733  -1.447   0.478  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.362  -1.419   0.424  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.032  -2.724   0.399  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.024  -3.506   0.383  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.380  -0.235   0.439  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.232   0.912   0.561  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.141  -2.700   0.431  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.612   0.898   0.635  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        5.940   1.026   0.070  0.00  0.00    +0.215 A 
ATOM     11  N   LIG    1        6.676   0.214   0.855  0.00  0.00    -0.221 NA
ATOM     12  C   LIG    1        6.004  -0.738   1.534  0.00  0.00    +0.115 A 
ATOM     13  C   LIG    1        4.629  -0.902   1.477  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        3.879  -0.040   0.672  0.00  0.00    -0.006 A 
ATOM     15  C   LIG    1        4.562   0.939  -0.056  0.00  0.00    +0.076 A 
BRANCH  10  17
ATOM     16  C   LIG    1        7.971   2.032  -0.510  0.00  0.00    +0.279 C 
ATOM     17  O   LIG    1        6.556   2.018  -0.669  0.00  0.00    -0.480 OA
ENDBRANCH  10  17
ENDBRANCH   1  14
BRANCH   6  18
ATOM     18  N   LIG    1       -1.753  -0.263   0.353  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -2.099   0.652   0.640  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.377  -0.606  -0.922  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.862  -0.696  -0.742  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.699   0.414  -0.800  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.381   1.849  -1.001  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.792   2.387  -1.240  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.748   1.476  -0.655  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -6.066   0.289  -0.582  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.661  -0.923  -0.295  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -5.843  -2.050  -0.236  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -4.464  -1.929  -0.456  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -3.705  -3.033  -0.380  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 5