REMARK  Name = BDB052916
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.256  -1.143   0.285  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -1.914  -0.933  -0.939  0.00  0.00    +0.164 A 
ATOM      3  C   LIG    1       -1.173  -0.564  -2.069  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.205  -0.391  -2.021  0.00  0.00    +0.082 A 
ATOM      5  C   LIG    1        0.861  -0.602  -0.806  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1        2.247  -0.419  -0.854  0.00  0.00    +0.231 A 
ATOM      7  N   LIG    1        2.926  -0.054  -1.959  0.00  0.00    -0.201 NA
ATOM      8  C   LIG    1        2.181   0.126  -3.051  0.00  0.00    +0.225 A 
ATOM      9  N   LIG    1        0.853  -0.033  -3.137  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        0.128  -0.978   0.346  0.00  0.00    +0.064 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -1.437  -1.577   2.627  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -2.044  -1.513   1.345  0.00  0.00    -0.491 OA
ENDBRANCH   1  12
BRANCH   2  13
ATOM     13  O   LIG    1       -3.272  -1.123  -0.932  0.00  0.00    -0.488 OA
BRANCH  13  14
ATOM     14  C   LIG    1       -4.010  -0.755  -2.097  0.00  0.00    +0.230 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -5.504  -0.885  -1.795  0.00  0.00    +0.056 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -6.142   0.398  -1.234  0.00  0.00    +0.087 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -5.442   1.010  -0.098  0.00  0.00    -0.302 NA
ATOM     18  C   LIG    1       -5.464   0.183   1.118  0.00  0.00    +0.084 C 
ATOM     19  C   LIG    1       -6.783   0.496   1.808  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1       -7.179   1.875   1.299  0.00  0.00    +0.017 C 
ATOM     21  C   LIG    1       -6.082   2.267   0.320  0.00  0.00    +0.084 C 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   2  13
BRANCH   6  22
ATOM     22  O   LIG    1        2.947  -0.632   0.336  0.00  0.00    -0.434 OA
BRANCH  22  23
ATOM     23  C   LIG    1        4.319  -0.575   0.267  0.00  0.00    +0.166 A 
ATOM     24  C   LIG    1        4.973   0.506   0.863  0.00  0.00    +0.175 A 
ATOM     25  F   LIG    1        4.263   1.485   1.446  0.00  0.00    -0.201 F 
ATOM     26  C   LIG    1        6.379   0.557   0.857  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        7.081  -0.492   0.260  0.00  0.00    +0.050 A 
ATOM     28  N   LIG    1        8.422  -0.203   0.384  0.00  0.00    -0.358 N 
ATOM     29  H   LIG    1        9.167  -0.791   0.036  0.00  0.00    +0.166 HD
ATOM     30  C   LIG    1        8.598   0.988   1.045  0.00  0.00    +0.014 A 
ATOM     31  C   LIG    1        9.948   1.540   1.315  0.00  0.00    +0.063 C 
ATOM     32  C   LIG    1        6.443  -1.594  -0.326  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1        7.345   1.478   1.351  0.00  0.00    +0.033 A 
ATOM     34  C   LIG    1        5.043  -1.622  -0.304  0.00  0.00    +0.051 A 
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 8