REMARK  Name = BDB057191
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.636  -0.499   0.660  0.00  0.00    +0.146 A 
ATOM      2  N   LIG    1       -1.388  -0.779   1.774  0.00  0.00    -0.337 N 
ATOM      3  H   LIG    1       -1.034  -1.155   2.640  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -2.698  -0.469   1.507  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1       -2.681   0.028   0.204  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -3.898   0.445  -0.371  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1       -5.084   0.343   0.375  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1       -5.047  -0.162   1.670  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1       -6.190  -0.247   2.364  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -3.861  -0.579   2.274  0.00  0.00    +0.066 A 
ATOM     11  N   LIG    1       -1.402  -0.022  -0.300  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1        3.142  -0.824  -0.192  0.00  0.00    +0.004 A 
ATOM     13  S   LIG    1        1.647  -0.326  -0.857  0.00  0.00    -0.089 S 
ATOM     14  C   LIG    1        0.782  -0.711   0.574  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1        1.632  -1.217   1.541  0.00  0.00    +0.019 A 
ATOM     16  C   LIG    1        2.987  -1.282   1.100  0.00  0.00    +0.013 A 
BRANCH  12  17
ATOM     17  C   LIG    1        4.402  -0.732  -1.002  0.00  0.00    +0.123 C 
BRANCH  17  19
ATOM     18  C   LIG    1        6.527   0.380  -1.185  0.00  0.00    +0.101 C 
ATOM     19  N   LIG    1        5.310   0.245  -0.396  0.00  0.00    -0.315 NA
ATOM     20  H   LIG    1        4.831   1.145  -0.362  0.00  0.00    +0.122 HD
ENDBRANCH  17  19
ENDBRANCH  12  17
ENDBRANCH   1  14
BRANCH   6  21
ATOM     21  C   LIG    1       -3.931   1.007  -1.732  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1       -3.161   1.876  -2.110  0.00  0.00    -0.270 OA
ATOM     23  N   LIG    1       -4.907   0.514  -2.558  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -4.840   0.801  -3.527  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -5.373  -0.361  -2.361  0.00  0.00    +0.145 HD
ENDBRANCH   6  21
TORSDOF 4