REMARK  Name = BDB016504
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.488  -4.233  -3.758  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        1.127  -3.332  -2.996  0.00  0.00    +0.267 C 
ATOM      3  C   LIG    1       -0.334  -3.159  -2.724  0.00  0.00    +0.126 A 
ATOM      4  N   LIG    1       -0.710  -2.707  -1.497  0.00  0.00    -0.242 NA
ATOM      5  C   LIG    1       -2.039  -2.673  -1.225  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -3.003  -3.086  -2.141  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -2.595  -3.550  -3.389  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -2.421  -2.103   0.059  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1       -3.685  -1.776   0.604  0.00  0.00    +0.144 A 
ATOM     10  N   LIG    1       -3.599  -1.123   1.767  0.00  0.00    -0.179 NA
ATOM     11  N   LIG    1       -2.273  -1.013   1.966  0.00  0.00    -0.271 N 
ATOM     12  C   LIG    1       -1.767  -0.241   3.084  0.00  0.00    +0.143 C 
ATOM     13  C   LIG    1       -1.960   1.277   2.949  0.00  0.00    +0.023 C 
ATOM     14  C   LIG    1       -1.255   1.886   1.726  0.00  0.00    +0.002 C 
ATOM     15  C   LIG    1       -2.239   2.340   0.637  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -1.600   2.393  -0.758  0.00  0.00    +0.019 C 
ATOM     17  C   LIG    1       -1.506   0.991  -1.350  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1       -0.838   0.938  -2.632  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -1.422   1.065  -3.447  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1        0.193   0.048  -2.896  0.00  0.00    +0.266 C 
ATOM     21  O   LIG    1        0.268  -0.437  -4.027  0.00  0.00    -0.268 OA
ATOM     22  C   LIG    1        1.186  -0.237  -1.841  0.00  0.00    +0.168 A 
ATOM     23  C   LIG    1        2.025  -1.389  -1.693  0.00  0.00    +0.084 A 
ATOM     24  C   LIG    1        2.953  -1.029  -0.741  0.00  0.00    +0.132 A 
ATOM     25  N   LIG    1        2.591   0.205  -0.298  0.00  0.00    -0.266 N 
ATOM     26  N   LIG    1        1.512   0.700  -0.921  0.00  0.00    -0.164 NA
ATOM     27  C   LIG    1       -1.531  -1.648   1.013  0.00  0.00    +0.118 A 
ATOM     28  C   LIG    1       -1.239  -3.592  -3.687  0.00  0.00    +0.033 A 
ATOM     29  N   LIG    1        2.090  -2.620  -2.314  0.00  0.00    -0.277 N 
ATOM     30  H   LIG    1        2.990  -3.081  -2.311  0.00  0.00    +0.155 HD
ENDROOT
BRANCH  25  31
ATOM     31  C   LIG    1        3.243   0.961   0.766  0.00  0.00    +0.112 C 
ATOM     32  C   LIG    1        2.618   0.636   2.130  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1        2.731   1.810   3.091  0.00  0.00    +0.162 C 
ATOM     34  O   LIG    1        3.967   2.480   2.876  0.00  0.00    -0.380 OA
ATOM     35  C   LIG    1        4.002   3.189   1.636  0.00  0.00    +0.162 C 
ATOM     36  C   LIG    1        3.261   2.470   0.513  0.00  0.00    +0.055 C 
ENDBRANCH  25  31
TORSDOF 1