REMARK  Name = BDB016863
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.369   0.114   1.443  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1        0.488  -0.366   0.307  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1        1.819  -0.130   0.887  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        1.778   0.435   2.118  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1        3.021   0.668   2.599  0.00  0.00    -0.228 NA
ATOM      6  C   LIG    1        3.845   0.242   1.643  0.00  0.00    +0.108 A 
ATOM      7  C   LIG    1        5.325   0.352   1.735  0.00  0.00    +0.086 C 
ATOM      8  N   LIG    1        3.127  -0.292   0.572  0.00  0.00    -0.322 N 
ATOM      9  C   LIG    1        0.408   0.619   2.533  0.00  0.00    +0.272 C 
ATOM     10  O   LIG    1        0.054   1.088   3.601  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  20
ATOM     11  C   LIG    1       -4.753   1.161   3.588  0.00  0.00    +0.046 C 
ATOM     12  C   LIG    1       -3.999   0.508   2.468  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -4.624  -0.185   1.421  0.00  0.00    +0.116 A 
ATOM     14  N   LIG    1       -5.950  -0.427   1.174  0.00  0.00    -0.129 NA
ATOM     15  N   LIG    1       -6.042  -1.131   0.054  0.00  0.00    -0.065 NA
ATOM     16  N   LIG    1       -4.792  -1.321  -0.404  0.00  0.00    -0.247 N 
ATOM     17  C   LIG    1       -4.596  -2.052  -1.627  0.00  0.00    +0.175 C 
ATOM     18  C   LIG    1       -3.853  -0.758   0.419  0.00  0.00    +0.091 A 
ATOM     19  C   LIG    1       -2.451  -0.691   0.396  0.00  0.00    +0.053 A 
ATOM     20  C   LIG    1       -1.797   0.004   1.431  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1       -2.584   0.586   2.440  0.00  0.00    +0.029 A 
ENDBRANCH   1  20
BRANCH   2  22
ATOM     22  C   LIG    1        0.286   0.404  -0.990  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1        0.180   1.806  -1.010  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        0.012   2.493  -2.215  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.046   1.786  -3.413  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -0.251   2.630  -4.897  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1        0.062   0.398  -3.417  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        0.229  -0.290  -2.212  0.00  0.00    +0.007 A 
ENDBRANCH   2  22
BRANCH   8  29
ATOM     29  C   LIG    1        3.580  -0.907  -0.685  0.00  0.00    +0.140 C 
ATOM     30  C   LIG    1        4.755  -1.872  -0.571  0.00  0.00    +0.187 C 
ATOM     31  O   LIG    1        5.655  -0.899  -1.158  0.00  0.00    -0.376 OA
ATOM     32  C   LIG    1        4.535  -0.044  -1.504  0.00  0.00    +0.187 C 
ENDBRANCH   8  29
TORSDOF 3