REMARK  Name = BDB014108
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.245   0.620   0.439  0.00  0.00    -0.254 N 
ATOM      2  C   LIG    1       -0.521  -0.576   0.930  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1       -1.767   0.095   1.325  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -1.767   1.433   1.093  0.00  0.00    +0.083 A 
ATOM      5  C   LIG    1       -3.013   1.876   1.507  0.00  0.00    +0.079 A 
ATOM      6  N   LIG    1       -3.760   0.864   1.986  0.00  0.00    -0.175 NA
ATOM      7  N   LIG    1       -2.964  -0.230   1.853  0.00  0.00    -0.268 N 
ATOM      8  C   LIG    1       -3.455  -1.526   2.246  0.00  0.00    +0.172 C 
ATOM      9  C   LIG    1       -0.515   1.826   0.529  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1       -0.224   2.972   0.233  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  20
ATOM     11  C   LIG    1        4.227   2.837  -1.599  0.00  0.00    +0.046 C 
ATOM     12  C   LIG    1        3.612   1.606  -1.000  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1        4.303   0.394  -0.854  0.00  0.00    +0.116 A 
ATOM     14  N   LIG    1        5.590   0.053  -1.180  0.00  0.00    -0.129 NA
ATOM     15  N   LIG    1        5.779  -1.216  -0.846  0.00  0.00    -0.065 NA
ATOM     16  N   LIG    1        4.626  -1.672  -0.327  0.00  0.00    -0.247 N 
ATOM     17  C   LIG    1        4.544  -3.039   0.112  0.00  0.00    +0.175 C 
ATOM     18  C   LIG    1        3.661  -0.701  -0.294  0.00  0.00    +0.091 A 
ATOM     19  C   LIG    1        2.331  -0.664   0.153  0.00  0.00    +0.053 A 
ATOM     20  C   LIG    1        1.610   0.537   0.013  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1        2.266   1.642  -0.559  0.00  0.00    +0.029 A 
ENDBRANCH   1  20
BRANCH   2  22
ATOM     22  C   LIG    1       -0.755  -1.653  -0.116  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1       -0.686  -3.008   0.254  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -0.913  -4.016  -0.685  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -1.217  -3.681  -2.003  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -1.494  -4.926  -3.157  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -1.299  -2.346  -2.388  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -1.074  -1.337  -1.449  0.00  0.00    +0.007 A 
ENDBRANCH   2  22
BRANCH   5  29
ATOM     29  C   LIG    1       -3.499   3.344   1.452  0.00  0.00    +0.040 C 
ATOM     30  C   LIG    1       -3.682   4.007   0.110  0.00  0.00    +0.010 C 
ATOM     31  C   LIG    1       -4.883   3.645   0.934  0.00  0.00    +0.010 C 
ENDBRANCH   5  29
TORSDOF 3