REMARK  Name = BDB017692
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.052   1.997  -2.933  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -4.619   1.381  -1.963  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -5.173   0.062  -1.557  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -6.287  -0.495  -2.403  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -7.006  -1.669  -1.730  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1       -6.004  -2.621  -1.089  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1       -5.154  -1.878  -0.164  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -4.450  -2.462   0.279  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -4.680  -0.610  -0.497  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1       -3.607   0.005   0.320  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -3.072   1.236  -0.087  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -2.042   1.857   0.628  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -1.524   1.264   1.787  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1       -2.083   0.055   2.222  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.110  -0.566   1.499  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -3.587   1.875  -1.218  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -3.226   2.772  -1.513  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  18
ATOM     18  C   LIG    1       -0.407   1.925   2.568  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1        0.962   1.556   2.205  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        1.394   1.954   0.853  0.00  0.00    +0.103 C 
ATOM     21  C   LIG    1        1.679   0.772  -0.100  0.00  0.00    +0.120 C 
ATOM     22  N   LIG    1        2.703  -0.139   0.454  0.00  0.00    -0.327 N 
ATOM     23  C   LIG    1        2.698  -0.247   1.935  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        1.329   0.165   2.526  0.00  0.00    +0.103 C 
BRANCH  22  25
ATOM     25  C   LIG    1        4.000  -0.139  -0.083  0.00  0.00    +0.032 A 
ATOM     26  C   LIG    1        4.789  -1.297   0.064  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        6.090  -1.315  -0.460  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1        6.643  -0.223  -1.123  0.00  0.00    -0.000 A 
ATOM     29  C   LIG    1        7.960  -0.591  -1.511  0.00  0.00    +0.027 A 
ATOM     30  C   LIG    1        8.177  -1.882  -1.087  0.00  0.00    +0.083 A 
ATOM     31  C   LIG    1        5.863   0.935  -1.271  0.00  0.00    +0.012 A 
ATOM     32  N   LIG    1        7.039  -2.311  -0.456  0.00  0.00    -0.361 N 
ATOM     33  H   LIG    1        6.907  -3.225  -0.045  0.00  0.00    +0.165 HD
ATOM     34  C   LIG    1        4.557   0.959  -0.751  0.00  0.00    +0.024 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  13  18
TORSDOF 3