REMARK  Name = BDB064820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.389   0.472  -0.996  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.241   0.373  -0.572  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.169   0.710  -1.357  0.00  0.00    -0.253 N 
ATOM      4  H   LIG    1       -3.413   0.951  -2.308  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -1.892   0.226  -1.196  0.00  0.00    +0.266 C 
ATOM      6  O   LIG    1       -1.147   0.102  -2.168  0.00  0.00    -0.271 OA
ATOM      7  C   LIG    1       -1.501  -0.170   0.233  0.00  0.00    +0.220 C 
ATOM      8  O   LIG    1       -1.263   1.014   1.003  0.00  0.00    -0.377 OA
ATOM      9  N   LIG    1        0.118   1.307   0.933  0.00  0.00    -0.088 NA
ATOM     10  C   LIG    1        0.718   0.237   0.509  0.00  0.00    +0.093 C 
ATOM     11  C   LIG    1       -0.189  -0.928   0.295  0.00  0.00    +0.119 C 
ATOM     12  C   LIG    1       -2.659  -0.948   0.853  0.00  0.00    +0.070 C 
ATOM     13  C   LIG    1       -3.934  -0.113   0.824  0.00  0.00    +0.100 C 
ENDROOT
BRANCH  10  14
ATOM     14  C   LIG    1        2.174   0.207   0.223  0.00  0.00    +0.018 A 
ATOM     15  C   LIG    1        3.000  -0.921   0.333  0.00  0.00    +0.051 A 
ATOM     16 CL   LIG    1        2.465  -2.456   0.914  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1        4.361  -0.828   0.010  0.00  0.00    +0.040 A 
ATOM     18  C   LIG    1        4.901   0.384  -0.414  0.00  0.00    +0.042 A 
ATOM     19 CL   LIG    1        6.572   0.485  -0.806  0.00  0.00    -0.083 Cl
ATOM     20  C   LIG    1        4.097   1.513  -0.516  0.00  0.00    +0.021 A 
ATOM     21  C   LIG    1        2.741   1.425  -0.196  0.00  0.00    +0.012 A 
ENDBRANCH  10  14
TORSDOF 1