REMARK  Name = BDB026347
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.408  -1.320   1.730  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        2.164  -2.635   1.091  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        1.276  -2.476  -0.167  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.016  -1.811   0.124  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.235  -0.507   0.785  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.134  -0.634   2.040  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.758   0.854   0.475  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1        4.570   1.494   0.543  0.00  0.00    -0.249 NA
ATOM      9  C   LIG    1        3.504   0.764   0.963  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        3.517  -0.595   1.297  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        4.781  -1.197   1.226  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        5.910  -0.483   0.813  0.00  0.00    +0.035 A 
BRANCH   7  16
ATOM     13  C   LIG    1        8.972   1.731  -1.337  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        7.879   1.002  -0.743  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        7.618   0.122  -1.166  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        6.932   1.672   0.020  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        7.025   2.864   0.297  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -0.794  -1.653  -1.114  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.224  -1.218  -0.866  0.00  0.00    -0.031 A 
ATOM     20  C   LIG    1       -2.716  -0.026  -1.417  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1       -4.039   0.353  -1.183  0.00  0.00    +0.068 A 
ATOM     22  C   LIG    1       -4.896  -0.438  -0.405  0.00  0.00    +0.088 A 
ATOM     23  N   LIG    1       -6.233  -0.084  -0.161  0.00  0.00    -0.239 NA
ATOM     24  C   LIG    1       -6.689   1.023  -0.685  0.00  0.00    +0.174 A 
ATOM     25  C   LIG    1       -5.816   1.963  -1.503  0.00  0.00    +0.276 A 
ATOM     26  O   LIG    1       -6.239   3.033  -1.910  0.00  0.00    -0.266 OA
ATOM     27  C   LIG    1       -4.405  -1.623   0.139  0.00  0.00    +0.030 A 
ATOM     28  N   LIG    1       -4.526   1.546  -1.724  0.00  0.00    -0.319 N 
ATOM     29  H   LIG    1       -3.932   2.154  -2.270  0.00  0.00    +0.169 HD
ATOM     30  C   LIG    1       -3.082  -2.012  -0.089  0.00  0.00    +0.007 A 
BRANCH  24  31
ATOM     31  C   LIG    1       -8.122   1.466  -0.487  0.00  0.00    +0.293 C 
ATOM     32  F   LIG    1       -8.910   0.441  -0.035  0.00  0.00    -0.199 F 
ATOM     33  F   LIG    1       -8.708   1.870  -1.650  0.00  0.00    -0.199 F 
ATOM     34  C   LIG    1       -8.223   2.587   0.531  0.00  0.00    +0.092 C 
ENDBRANCH  24  31
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 5