REMARK  Name = BDB042448
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.179   0.367  -0.028  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1        2.114   1.389   0.005  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1        1.286   1.318   1.301  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        0.733  -0.016   1.551  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.498  -0.127   2.179  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -1.099   0.858   2.609  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        1.539  -1.146   1.079  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        3.024  -0.794   0.862  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        6.725   1.023  -2.249  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1        5.544   1.677  -2.593  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        4.376   1.455  -1.851  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        4.343   0.582  -0.750  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.548  -0.066  -0.432  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        6.725   0.148  -1.165  0.00  0.00    +0.020 A 
BRANCH   9  16
ATOM     15  N   LIG    1        8.896   1.425  -3.610  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1        7.924   1.245  -3.002  0.00  0.00    +0.099 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1       -1.053  -1.536   2.346  0.00  0.00    +0.102 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.527  -1.549   2.760  0.00  0.00    +0.062 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.454  -1.212   1.616  0.00  0.00    +0.020 A 
ATOM     20  N   LIG    1       -3.690  -2.199   0.688  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1       -3.258  -3.110   0.787  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1       -4.508  -2.073  -0.417  0.00  0.00    +0.259 A 
ATOM     23  O   LIG    1       -4.652  -3.010  -1.193  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1       -5.177  -0.762  -0.591  0.00  0.00    +0.082 A 
ATOM     25  C   LIG    1       -4.944   0.243   0.361  0.00  0.00    -0.008 A 
ATOM     26  C   LIG    1       -5.564   1.490   0.215  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -6.411   1.732  -0.869  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -6.640   0.730  -1.811  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -6.023  -0.512  -1.670  0.00  0.00    +0.136 A 
ATOM     30  F   LIG    1       -6.271  -1.445  -2.600  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -4.053  -0.018   1.494  0.00  0.00    +0.030 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 5