REMARK  Name = BDB054421
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.588  -1.217  -0.730  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1        0.470  -1.426  -0.001  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -0.706  -1.488  -0.653  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -0.792  -1.373  -2.035  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.370  -1.170  -2.774  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        1.587  -1.090  -2.112  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  15
ATOM      7 CL   LIG    1        4.832   3.449  -1.215  0.00  0.00    -0.082 Cl
ATOM      8  C   LIG    1        4.767   1.926  -0.424  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1        3.733   1.089  -0.598  0.00  0.00    +0.113 A 
ATOM     10  N   LIG    1        3.728  -0.139   0.071  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1        4.748  -0.526   0.942  0.00  0.00    +0.138 A 
ATOM     12  N   LIG    1        4.500  -1.693   1.494  0.00  0.00    -0.235 NA
ATOM     13  C   LIG    1        3.291  -2.081   0.978  0.00  0.00    +0.141 A 
ATOM     14  C   LIG    1        5.846   0.364   1.109  0.00  0.00    +0.048 A 
ATOM     15  C   LIG    1        2.806  -1.170   0.057  0.00  0.00    +0.092 A 
ATOM     16  C   LIG    1        5.860   1.541   0.454  0.00  0.00    +0.025 A 
ENDBRANCH   1  15
BRANCH   3  17
ATOM     17  N   LIG    1       -1.821  -1.711   0.148  0.00  0.00    -0.326 N 
ATOM     18  H   LIG    1       -1.449  -1.768   1.097  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.914  -0.734   0.055  0.00  0.00    +0.074 C 
ATOM     20  C   LIG    1       -2.514   0.617   0.657  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1       -3.706   1.568   0.690  0.00  0.00    +0.082 C 
ATOM     22  N   LIG    1       -4.834   0.988   1.416  0.00  0.00    -0.316 NA
ATOM     23  H   LIG    1       -5.614   1.646   1.419  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1       -5.266  -0.279   0.827  0.00  0.00    +0.082 C 
ATOM     25  C   LIG    1       -4.129  -1.295   0.802  0.00  0.00    +0.037 C 
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 3