REMARK  Name = BDB055881
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.216  -1.814  -2.142  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -0.501  -1.754  -0.872  0.00  0.00    -0.293 N 
ATOM      3  C   LIG    1       -1.044  -0.909   0.208  0.00  0.00    +0.139 C 
ATOM      4  C   LIG    1       -0.118  -0.830   1.466  0.00  0.00    +0.174 C 
ATOM      5  O   LIG    1        0.138  -2.159   1.946  0.00  0.00    -0.361 OA
ATOM      6  C   LIG    1        0.703  -2.993   0.949  0.00  0.00    +0.256 C 
ATOM      7  C   LIG    1        0.164  -2.931  -0.496  0.00  0.00    +0.242 C 
ATOM      8  O   LIG    1        0.368  -3.862  -1.276  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1       -1.550   0.468  -0.208  0.00  0.00    -0.023 A 
ATOM     10  C   LIG    1       -0.809   1.326  -1.037  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -1.295   2.592  -1.365  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -0.369   3.621  -2.388  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -2.522   3.029  -0.874  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -3.270   2.192  -0.049  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -2.787   0.923   0.283  0.00  0.00    +0.005 A 
ENDBRANCH   3   9
BRANCH   4  16
ATOM     16  C   LIG    1        1.179  -0.030   1.432  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1        2.047  -0.005   0.330  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        3.233   0.738   0.364  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        3.572   1.453   1.508  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1        5.031   2.364   1.548  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1        2.740   1.428   2.621  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        1.555   0.686   2.584  0.00  0.00    +0.007 A 
ENDBRANCH   4  16
TORSDOF 2