REMARK  Name = BDB053887
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.450  -0.346  -0.305  0.00  0.00    +0.125 C 
ATOM      2  C   LIG    1       -2.536  -0.850   0.666  0.00  0.00    +0.109 C 
ATOM      3  C   LIG    1       -3.612   0.172   0.969  0.00  0.00    -0.007 A 
ATOM      4  C   LIG    1       -3.799   0.244   2.350  0.00  0.00    -0.013 A 
ATOM      5  C   LIG    1       -4.739   1.087   2.924  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -5.500   1.883   2.075  0.00  0.00    +0.159 A 
ATOM      7  C   LIG    1       -5.324   1.821   0.692  0.00  0.00    +0.159 A 
ATOM      8  F   LIG    1       -6.070   2.591  -0.113  0.00  0.00    -0.202 F 
ATOM      9  F   LIG    1       -6.414   2.712   2.599  0.00  0.00    -0.202 F 
ATOM     10  C   LIG    1       -2.888  -0.710   3.023  0.00  0.00    +0.196 C 
ATOM     11  C   LIG    1       -4.381   0.963   0.124  0.00  0.00    +0.048 A 
ATOM     12  O   LIG    1       -1.941  -1.036   1.990  0.00  0.00    -0.363 OA
ATOM     13  C   LIG    1       -3.145  -2.192   0.225  0.00  0.00    +0.056 C 
ATOM     14  C   LIG    1       -3.522  -2.200  -1.252  0.00  0.00    +0.084 C 
ATOM     15  N   LIG    1       -2.387  -1.857  -2.105  0.00  0.00    -0.315 NA
ATOM     16  H   LIG    1       -1.642  -2.547  -1.940  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1       -1.843  -0.534  -1.780  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   1  19
ATOM     18  N   LIG    1        0.971  -0.332   0.389  0.00  0.00    -0.294 N 
ATOM     19  C   LIG    1       -0.119  -1.071  -0.079  0.00  0.00    +0.224 C 
ATOM     20  O   LIG    1       -0.020  -2.273  -0.355  0.00  0.00    -0.275 OA
BRANCH  18  21
ATOM     21  C   LIG    1        0.943   1.093   0.628  0.00  0.00    +0.077 C 
ATOM     22  C   LIG    1        0.152   1.691   1.766  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1        1.644   1.733   1.803  0.00  0.00    +0.024 C 
ENDBRANCH  18  21
BRANCH  18  24
ATOM     24  C   LIG    1        2.290  -0.984   0.399  0.00  0.00    +0.143 C 
BRANCH  24  29
ATOM     25  C   LIG    1        6.427   1.211  -1.741  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        5.117   0.471  -1.810  0.00  0.00    -0.047 A 
ATOM     27  C   LIG    1        4.405   0.083  -0.647  0.00  0.00    -0.043 A 
ATOM     28  C   LIG    1        4.957   0.389   0.724  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1        3.158  -0.580  -0.786  0.00  0.00    -0.027 A 
ATOM     30  C   LIG    1        2.693  -0.901  -2.077  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        3.411  -0.542  -3.211  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        4.610   0.146  -3.079  0.00  0.00    +0.003 A 
ENDBRANCH  24  29
ENDBRANCH  18  24
ENDBRANCH   1  19
TORSDOF 4