REMARK  Name = BDB004555
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.449  -2.502   0.909  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1       -1.775  -1.264   0.977  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1       -1.400  -0.661  -0.239  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -0.737   0.582  -0.153  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1       -0.455   1.161   1.024  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -0.836   0.506   2.118  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1       -1.678  -1.305  -1.471  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -2.340  -2.524  -1.516  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1       -1.487  -0.663   2.153  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1       -2.729  -3.118  -0.327  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -2.656  -2.725   3.350  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -2.959  -3.226   4.172  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -2.152  -1.847   3.446  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -2.915  -3.250   2.119  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -3.518  -4.314   2.025  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1       -0.369   1.248  -1.343  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -1.215   1.422  -1.878  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        0.420   2.467  -1.196  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.887   2.151  -1.010  0.00  0.00    -0.029 A 
ATOM     20  C   LIG    1        2.603   1.480  -2.014  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        3.958   1.197  -1.839  0.00  0.00    +0.018 A 
ATOM     22 BR   LIG    1        4.908   0.292  -3.200  0.00  0.00    -0.050 Br
ATOM     23  C   LIG    1        4.616   1.575  -0.671  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1        3.912   2.237   0.334  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        2.555   2.523   0.166  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 4