REMARK  Name = BDB014107
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.292   0.620   0.406  0.00  0.00    -0.254 N 
ATOM      2  C   LIG    1       -0.505  -0.520   0.972  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1       -1.699   0.223   1.399  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -1.647   1.551   1.119  0.00  0.00    +0.083 A 
ATOM      5  C   LIG    1       -2.851   2.067   1.574  0.00  0.00    +0.079 A 
ATOM      6  N   LIG    1       -3.621   1.108   2.120  0.00  0.00    -0.175 NA
ATOM      7  N   LIG    1       -2.885  -0.026   1.990  0.00  0.00    -0.268 N 
ATOM      8  C   LIG    1       -3.417  -1.283   2.450  0.00  0.00    +0.172 C 
ATOM      9  C   LIG    1       -0.405   1.864   0.487  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1       -0.075   2.984   0.139  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  20
ATOM     11  C   LIG    1        4.276   2.574  -1.883  0.00  0.00    +0.046 C 
ATOM     12  C   LIG    1        3.632   1.394  -1.215  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1        4.271   0.155  -1.058  0.00  0.00    +0.116 A 
ATOM     14  N   LIG    1        5.524  -0.258  -1.428  0.00  0.00    -0.129 NA
ATOM     15  N   LIG    1        5.669  -1.523  -1.060  0.00  0.00    -0.065 NA
ATOM     16  N   LIG    1        4.521  -1.905  -0.474  0.00  0.00    -0.247 N 
ATOM     17  C   LIG    1        4.394  -3.252   0.016  0.00  0.00    +0.175 C 
ATOM     18  C   LIG    1        3.604  -0.888  -0.432  0.00  0.00    +0.091 A 
ATOM     19  C   LIG    1        2.300  -0.772   0.072  0.00  0.00    +0.053 A 
ATOM     20  C   LIG    1        1.631   0.457  -0.078  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1        2.311   1.510  -0.717  0.00  0.00    +0.029 A 
ENDBRANCH   1  20
BRANCH   2  22
ATOM     22  C   LIG    1       -0.838  -1.618  -0.025  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1       -0.816  -2.962   0.390  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -1.133  -3.989  -0.503  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -1.481  -3.683  -1.817  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -1.870  -4.949  -2.913  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -1.519  -2.359  -2.244  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -1.203  -1.331  -1.352  0.00  0.00    +0.007 A 
ENDBRANCH   2  22
BRANCH   5  29
ATOM     29  C   LIG    1       -3.270   3.554   1.488  0.00  0.00    +0.040 C 
ATOM     30  C   LIG    1       -3.482   4.181   0.134  0.00  0.00    +0.010 C 
ATOM     31  C   LIG    1       -4.660   3.905   1.023  0.00  0.00    +0.010 C 
ENDBRANCH   5  29
TORSDOF 3