REMARK  Name = BDB053219
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.700  -0.204  -1.802  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -1.564  -0.240  -0.970  0.00  0.00    +0.101 A 
ATOM      3  C   LIG    1       -0.807   0.952  -0.838  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1        0.296   1.024  -0.068  0.00  0.00    -0.244 NA
ATOM      5  C   LIG    1        0.692  -0.089   0.595  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -0.050  -1.253   0.476  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -1.189   2.102  -1.515  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -2.311   2.128  -2.334  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -1.164  -1.352  -0.291  0.00  0.00    -0.251 NA
ATOM     10  C   LIG    1       -3.067   0.974  -2.478  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        1.908   0.037   1.423  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        2.264   1.278   1.987  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1        3.409   1.424   2.778  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        4.227   0.326   3.016  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        5.636   0.497   3.986  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        3.910  -0.913   2.466  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        2.762  -1.054   1.675  0.00  0.00    +0.011 A 
ENDBRANCH   5  11
BRANCH   1  21
ATOM     18  N   LIG    1       -3.271  -2.556  -1.393  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1       -2.462  -2.620  -0.780  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1       -3.862  -3.363  -1.533  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1       -3.581  -1.389  -2.025  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1       -4.564  -1.327  -2.757  0.00  0.00    -0.270 OA
ENDBRANCH   1  21
TORSDOF 2