REMARK  Name = BDB055833
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.508   1.571  -0.469  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -0.207   1.790  -0.010  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1        0.548   0.742   0.546  0.00  0.00    -0.011 A 
ATOM      4  C   LIG    1       -0.037  -0.533   0.639  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -1.337  -0.765   0.177  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1       -2.064   0.293  -0.378  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.907  -2.092   0.260  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -3.092  -2.409   0.889  0.00  0.00    +0.142 A 
ATOM      9  C   LIG    1       -4.118  -1.644   1.625  0.00  0.00    +0.090 C 
ATOM     10  O   LIG    1       -3.309  -3.748   0.786  0.00  0.00    -0.359 OA
ATOM     11  N   LIG    1       -2.267  -4.337   0.096  0.00  0.00    -0.083 NA
ATOM     12  C   LIG    1       -1.429  -3.341  -0.220  0.00  0.00    +0.088 A 
ATOM     13  C   LIG    1       -0.192  -3.628  -0.984  0.00  0.00    +0.070 C 
ENDBRANCH   5   7
BRANCH   1  14
ATOM     14  O   LIG    1       -2.332   2.509  -1.028  0.00  0.00    -0.492 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -2.916   4.707  -1.739  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1       -1.833   3.843  -1.116  0.00  0.00    +0.225 C 
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   3  17
ATOM     17  C   LIG    1        1.971   0.948   1.040  0.00  0.00    +0.175 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.003   0.154   0.257  0.00  0.00    -0.013 A 
ATOM     19  C   LIG    1        3.759  -0.846   0.888  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1        4.701  -1.577   0.162  0.00  0.00    +0.041 A 
ATOM     21 CL   LIG    1        5.616  -2.803   0.949  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1        4.906  -1.323  -1.192  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        4.163  -0.330  -1.829  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        3.219   0.405  -1.109  0.00  0.00    +0.006 A 
ENDBRANCH  17  18
BRANCH  17  25
ATOM     25  O   LIG    1        2.338   2.329   1.020  0.00  0.00    -0.383 OA
ATOM     26  H   LIG    1        3.308   2.365   0.959  0.00  0.00    +0.211 HD
ENDBRANCH  17  25
ENDBRANCH   3  17
TORSDOF 6