REMARK  Name = BDB052857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.184  -1.095  -0.016  0.00  0.00    +0.191 C 
ATOM      2  C   LIG    1       -0.717  -2.482   0.434  0.00  0.00    +0.258 C 
ATOM      3  O   LIG    1       -1.350  -2.752   1.449  0.00  0.00    -0.272 OA
ATOM      4  N   LIG    1       -0.349  -3.375  -0.530  0.00  0.00    -0.245 N 
ATOM      5  C   LIG    1       -0.703  -4.775  -0.507  0.00  0.00    +0.141 C 
ATOM      6  C   LIG    1        0.288  -2.711  -1.509  0.00  0.00    +0.183 C 
ATOM      7  N   LIG    1        0.442  -1.439  -1.347  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   1  10
ATOM      8  C   LIG    1        2.858   0.926   1.199  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1        1.866   0.367   0.389  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1        0.907  -0.525   0.915  0.00  0.00    -0.006 A 
ATOM     11  C   LIG    1        0.966  -0.813   2.289  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        1.958  -0.254   3.100  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        2.905   0.611   2.555  0.00  0.00    +0.017 A 
BRANCH   8  16
ATOM     14  C   LIG    1        5.610   3.494  -0.411  0.00  0.00    +0.106 C 
ATOM     15  C   LIG    1        4.629   2.576   0.165  0.00  0.00    -0.100 C 
ATOM     16  C   LIG    1        3.822   1.822   0.637  0.00  0.00    -0.067 C 
ENDBRANCH   8  16
ENDBRANCH   1  10
BRANCH   1  17
ATOM     17  C   LIG    1       -1.337  -0.086  -0.185  0.00  0.00    -0.007 A 
ATOM     18  C   LIG    1       -2.212   0.199   0.878  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1       -3.251   1.129   0.738  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1       -3.428   1.806  -0.466  0.00  0.00    +0.127 A 
ATOM     21  C   LIG    1       -2.574   1.528  -1.533  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -1.536   0.601  -1.394  0.00  0.00    +0.010 A 
BRANCH  20  23
ATOM     23  O   LIG    1       -4.398   2.732  -0.731  0.00  0.00    -0.434 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -4.992   3.347   0.399  0.00  0.00    +0.541 C 
ATOM     25  F   LIG    1       -5.713   4.406  -0.050  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -5.879   2.488   0.960  0.00  0.00    -0.166 F 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   1  17
BRANCH   6  27
ATOM     27  N   LIG    1        0.754  -3.341  -2.612  0.00  0.00    -0.331 N 
ATOM     28  H   LIG    1        1.098  -4.283  -2.483  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1        1.397  -2.759  -3.140  0.00  0.00    +0.145 HD
ENDBRANCH   6  27
TORSDOF 6