REMARK  Name = BDB050072
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.104  -0.560   0.645  0.00  0.00    +0.093 A 
ATOM      2  N   LIG    1        1.348  -0.107   0.210  0.00  0.00    -0.211 N 
ATOM      3  C   LIG    1        2.312  -0.736   0.989  0.00  0.00    +0.155 A 
ATOM      4  C   LIG    1        3.668  -0.435   0.733  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        3.975   0.432  -0.236  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1        2.847   1.031  -0.992  0.00  0.00    +0.150 A 
ATOM      7 CL   LIG    1        3.195   2.157  -2.253  0.00  0.00    -0.060 Cl
ATOM      8  N   LIG    1        1.781  -1.543   1.874  0.00  0.00    -0.234 NA
ATOM      9  N   LIG    1        1.591   0.788  -0.795  0.00  0.00    -0.153 NA
ATOM     10  C   LIG    1        0.433  -1.441   1.671  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  14
ATOM     11 CL   LIG    1       -2.906   2.171  -2.664  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1       -2.710   1.049  -1.371  0.00  0.00    +0.042 A 
ATOM     13  C   LIG    1       -1.425   0.727  -0.921  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -1.231  -0.183   0.129  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -2.385  -0.752   0.704  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -3.670  -0.430   0.253  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -3.834   0.475  -0.789  0.00  0.00    +0.020 A 
ENDBRANCH   1  14
TORSDOF 1