REMARK  Name = BDB016305
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.880   1.134   2.792  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1        2.470   0.406   1.579  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1        1.398   0.190   0.619  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1        0.510  -0.013   1.080  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1        1.592  -0.724  -0.441  0.00  0.00    +0.058 A 
ATOM      6  C   LIG    1        2.844  -1.077  -0.996  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        2.896  -2.021  -2.043  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        1.744  -2.578  -2.591  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        0.506  -2.188  -2.108  0.00  0.00    +0.012 A 
ATOM     10  N   LIG    1        4.114  -0.591  -0.621  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1        4.915  -1.014  -1.077  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1        4.518   0.400   0.211  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1        5.731   0.609   0.322  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        0.416  -1.260  -1.061  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1        3.534   1.262   0.930  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1       -0.936  -0.879  -0.623  0.00  0.00    +0.052 A 
ATOM     17  N   LIG    1       -1.497   0.371  -0.802  0.00  0.00    -0.343 N 
ATOM     18  C   LIG    1       -0.869   1.488  -1.480  0.00  0.00    +0.149 C 
ATOM     19  C   LIG    1       -2.759   0.417  -0.236  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -3.025  -0.854   0.277  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -4.260  -1.097   0.907  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1       -5.197  -0.061   1.013  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1       -4.915   1.206   0.500  0.00  0.00    +0.054 A 
ATOM     24  C   LIG    1       -3.690   1.467  -0.133  0.00  0.00    +0.045 A 
ATOM     25  C   LIG    1       -1.884  -1.656   0.019  0.00  0.00    +0.036 A 
BRANCH  23  26
ATOM     26  C   LIG    1       -5.886   2.255   0.620  0.00  0.00    +0.099 C 
ATOM     27  N   LIG    1       -6.670   3.106   0.716  0.00  0.00    -0.191 NA
ENDBRANCH  23  26
ENDBRANCH  14  16
TORSDOF 2