REMARK  Name = BDB055883
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.845  -2.302  -1.994  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1        0.825  -2.185  -0.964  0.00  0.00    -0.293 N 
ATOM      3  C   LIG    1        0.156  -0.882  -0.793  0.00  0.00    +0.139 C 
ATOM      4  C   LIG    1       -1.152  -1.024   0.046  0.00  0.00    +0.174 C 
ATOM      5  O   LIG    1       -0.860  -1.652   1.304  0.00  0.00    -0.361 OA
ATOM      6  C   LIG    1       -0.342  -2.958   1.097  0.00  0.00    +0.256 C 
ATOM      7  C   LIG    1        0.748  -3.160   0.025  0.00  0.00    +0.242 C 
ATOM      8  O   LIG    1        1.454  -4.168   0.030  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1        1.122   0.184  -0.275  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1        1.286   1.379  -0.999  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        2.151   2.378  -0.544  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        2.863   2.192   0.637  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1        3.926   3.423   1.198  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        2.717   1.017   1.368  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        1.851   0.018   0.914  0.00  0.00    +0.007 A 
ENDBRANCH   3   9
BRANCH   4  16
ATOM     16  C   LIG    1       -1.895   0.284   0.253  0.00  0.00    -0.015 A 
ATOM     17  C   LIG    1       -2.699   0.798  -0.778  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1       -3.363   2.015  -0.615  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -4.337   2.630  -1.894  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -3.240   2.737   0.569  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -2.446   2.237   1.599  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -1.779   1.020   1.443  0.00  0.00    +0.006 A 
ENDBRANCH   4  16
TORSDOF 2