REMARK  Name = BDB056387
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.697  -1.939  -0.846  0.00  0.00    -0.245 OA
ATOM      2  C   LIG    1       -3.477  -2.068  -0.846  0.00  0.00    +0.350 A 
ATOM      3  N   LIG    1       -2.955  -3.297  -1.130  0.00  0.00    -0.273 N 
ATOM      4  H   LIG    1       -3.632  -4.024  -1.304  0.00  0.00    +0.174 HD
ATOM      5  C   LIG    1       -1.681  -3.685  -0.869  0.00  0.00    +0.263 A 
ATOM      6  O   LIG    1       -1.320  -4.854  -0.922  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -0.792  -2.576  -0.499  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1       -1.353  -1.202  -0.375  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1       -0.496  -0.114  -0.077  0.00  0.00    -0.293 N 
ATOM     10  C   LIG    1        0.894  -0.375   0.191  0.00  0.00    +0.056 A 
ATOM     11  C   LIG    1        1.399  -1.688   0.080  0.00  0.00    -0.000 A 
ATOM     12  C   LIG    1        2.751  -1.956   0.337  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        3.614  -0.931   0.721  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        3.140   0.377   0.859  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        1.781   0.639   0.604  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1        0.513  -2.790  -0.290  0.00  0.00    +0.027 A 
ATOM     17  N   LIG    1       -2.636  -1.032  -0.560  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -1.034   1.212  -0.137  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1       -2.043   1.620   0.751  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1       -2.563   2.917   0.694  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -2.079   3.815  -0.255  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1       -2.716   5.411  -0.324  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1       -1.083   3.428  -1.149  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1       -0.565   2.132  -1.092  0.00  0.00    +0.027 A 
ENDBRANCH   9  18
BRANCH  14  25
ATOM     25  C   LIG    1        4.053   1.492   1.311  0.00  0.00    +0.417 C 
ATOM     26  F   LIG    1        3.916   1.765   2.636  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        3.817   2.663   0.657  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        5.373   1.218   1.117  0.00  0.00    -0.166 F 
ENDBRANCH  14  25
TORSDOF 2