REMARK  Name = BDB006881
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.348   0.282  -0.142  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -1.734   0.312  -0.093  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -2.660   0.049   0.935  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -3.958   0.170   0.434  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1       -5.034  -0.040   1.271  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -4.883  -0.349   2.572  0.00  0.00    -0.243 NA
ATOM      7  C   LIG    1       -3.614  -0.445   3.030  0.00  0.00    +0.131 A 
ATOM      8 CL   LIG    1       -3.494  -0.824   4.700  0.00  0.00    -0.062 Cl
ATOM      9  C   LIG    1       -3.973   0.504  -1.035  0.00  0.00    +0.009 C 
ATOM     10  C   LIG    1       -4.449  -0.699  -1.857  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1       -4.823   1.738  -1.348  0.00  0.00    +0.017 C 
ATOM     12  C   LIG    1       -2.470  -0.257   2.267  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1       -2.473   0.782  -1.279  0.00  0.00    +0.124 C 
ATOM     14  O   LIG    1        0.237   0.741  -1.131  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  15
ATOM     15  C   LIG    1        0.419  -0.334   1.037  0.00  0.00    +0.181 C 
BRANCH  15  17
ATOM     16  C   LIG    1        2.715   0.493   0.558  0.00  0.00    +0.097 C 
ATOM     17  N   LIG    1        1.831  -0.681   0.776  0.00  0.00    -0.286 NA
ATOM     18  C   LIG    1        1.997  -1.719  -0.254  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1        3.494  -2.085  -0.445  0.00  0.00    +0.065 C 
ATOM     20  C   LIG    1        3.655  -3.127  -1.550  0.00  0.00    +0.025 C 
ATOM     21  N   LIG    1        4.381  -0.945  -0.752  0.00  0.00    -0.311 NA
ATOM     22  H   LIG    1        5.134  -0.930  -0.063  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1        3.661   0.338  -0.670  0.00  0.00    +0.102 C 
BRANCH  16  24
ATOM     24  C   LIG    1        3.526   0.729   1.857  0.00  0.00    +0.179 C 
BRANCH  24  26
ATOM     25  C   LIG    1        3.715   3.103   1.949  0.00  0.00    +0.194 C 
ATOM     26  O   LIG    1        4.394   1.865   1.790  0.00  0.00    -0.381 OA
ENDBRANCH  24  26
ENDBRANCH  16  24
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 4