REMARK  Name = BDB016886
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.483  -0.311   0.240  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.053   0.769   1.190  0.00  0.00    +0.163 C 
ATOM      3  C   LIG    1        1.396   0.478   1.273  0.00  0.00    +0.097 A 
ATOM      4  N   LIG    1        2.451   0.946   1.977  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        3.479   0.208   1.563  0.00  0.00    +0.108 A 
ATOM      6  N   LIG    1        3.078  -0.750   0.631  0.00  0.00    -0.321 N 
ATOM      7  C   LIG    1        4.870   0.389   2.056  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        1.744  -0.561   0.476  0.00  0.00    +0.130 A 
ATOM      9  C   LIG    1        0.619  -1.090  -0.215  0.00  0.00    +0.270 C 
ATOM     10  O   LIG    1        0.649  -2.022  -1.002  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  20
ATOM     11  C   LIG    1       -5.257   0.965   0.888  0.00  0.00    +0.046 C 
ATOM     12  C   LIG    1       -4.247   0.078   0.222  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -4.593  -0.931  -0.690  0.00  0.00    +0.116 A 
ATOM     14  N   LIG    1       -5.817  -1.329  -1.162  0.00  0.00    -0.129 NA
ATOM     15  N   LIG    1       -5.627  -2.327  -2.015  0.00  0.00    -0.065 NA
ATOM     16  N   LIG    1       -4.303  -2.559  -2.075  0.00  0.00    -0.247 N 
ATOM     17  C   LIG    1       -3.802  -3.597  -2.935  0.00  0.00    +0.175 C 
ATOM     18  C   LIG    1       -3.599  -1.707  -1.267  0.00  0.00    +0.091 A 
ATOM     19  C   LIG    1       -2.234  -1.538  -0.992  0.00  0.00    +0.053 A 
ATOM     20  C   LIG    1       -1.857  -0.536  -0.083  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1       -2.870   0.248   0.506  0.00  0.00    +0.029 A 
ENDBRANCH   1  20
BRANCH   2  22
ATOM     22  C   LIG    1       -0.153   2.191   0.666  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1       -0.218   2.497  -0.706  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -0.314   3.822  -1.141  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.338   4.857  -0.211  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -0.455   6.487  -0.748  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -0.264   4.581   1.151  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -0.171   3.256   1.587  0.00  0.00    +0.007 A 
ENDBRANCH   2  22
BRANCH   6  29
ATOM     29  C   LIG    1        3.862  -1.756  -0.074  0.00  0.00    +0.083 C 
ATOM     30  C   LIG    1        4.712  -2.634   0.844  0.00  0.00    +0.030 C 
ATOM     31  C   LIG    1        4.686  -1.145  -1.206  0.00  0.00    +0.030 C 
ENDBRANCH   6  29
TORSDOF 3