REMARK  Name = BDB016889
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.259  -1.264  -0.479  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1       -1.983  -0.846  -0.335  0.00  0.00    +0.130 A 
ATOM      3  C   LIG    1       -0.689  -1.330  -0.013  0.00  0.00    +0.270 C 
ATOM      4  N   LIG    1        0.162  -0.196  -0.158  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -0.607   1.042  -0.525  0.00  0.00    +0.163 C 
ATOM      6  O   LIG    1       -0.425  -2.481   0.290  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1       -1.972   0.476  -0.634  0.00  0.00    +0.097 A 
ATOM      8  N   LIG    1       -3.195   0.919  -1.013  0.00  0.00    -0.234 NA
ATOM      9  C   LIG    1       -3.979  -0.150  -0.896  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1       -5.438  -0.177  -1.178  0.00  0.00    +0.086 C 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        1.588  -0.202  -0.051  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1        2.283  -1.366   0.312  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1        3.681  -1.305   0.402  0.00  0.00    +0.091 A 
ATOM     14  C   LIG    1        4.410  -0.153   0.147  0.00  0.00    +0.116 A 
ATOM     15  N   LIG    1        5.746  -0.411   0.311  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1        5.883  -1.684   0.658  0.00  0.00    -0.065 NA
ATOM     17  C   LIG    1        3.743   1.026  -0.217  0.00  0.00    -0.019 A 
ATOM     18  C   LIG    1        4.453   2.316  -0.506  0.00  0.00    +0.046 C 
ATOM     19  N   LIG    1        4.650  -2.219   0.720  0.00  0.00    -0.247 N 
ATOM     20  C   LIG    1        4.493  -3.604   1.073  0.00  0.00    +0.175 C 
ATOM     21  C   LIG    1        2.330   0.968  -0.309  0.00  0.00    +0.029 A 
ENDBRANCH   4  11
BRANCH   5  22
ATOM     22  C   LIG    1       -0.694   2.112   0.549  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1       -0.469   1.845   1.912  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -0.555   2.865   2.865  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.876   4.160   2.468  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -0.983   5.413   3.643  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -1.114   4.446   1.127  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -1.025   3.428   0.174  0.00  0.00    +0.007 A 
ENDBRANCH   5  22
BRANCH   1  30
ATOM     29  C   LIG    1       -3.628  -3.487  -1.474  0.00  0.00    +0.027 C 
ATOM     30  C   LIG    1       -3.750  -2.605  -0.245  0.00  0.00    +0.120 C 
ENDBRANCH   1  30
TORSDOF 3