REMARK  Name = BDB058117
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.118  -1.172  -0.068  0.00  0.00    +0.145 A 
ATOM      2  C   LIG    1        1.716  -2.206   0.536  0.00  0.00    +0.081 A 
ATOM      3  C   LIG    1        1.023  -3.499   0.595  0.00  0.00    +0.165 A 
ATOM      4  N   LIG    1        1.767  -4.379   1.210  0.00  0.00    -0.131 NA
ATOM      5  N   LIG    1        3.008  -3.719   1.614  0.00  0.00    -0.155 NA
ATOM      6  N   LIG    1       -0.227  -3.630   0.048  0.00  0.00    -0.344 N 
ATOM      7  H   LIG    1       -0.695  -4.527   0.095  0.00  0.00    +0.167 HD
ATOM      8  C   LIG    1       -0.846  -2.543  -0.537  0.00  0.00    +0.099 A 
ATOM      9  C   LIG    1        2.953  -2.478   1.224  0.00  0.00    +0.150 A 
ATOM     10  C   LIG    1       -0.243  -1.333  -0.603  0.00  0.00    +0.081 A 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1       -0.964  -0.211  -1.261  0.00  0.00    +0.204 C 
ATOM     12  O   LIG    1       -0.527   0.308  -2.283  0.00  0.00    -0.286 OA
BRANCH  11  13
ATOM     13  C   LIG    1       -2.237   0.241  -0.668  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1       -3.299   0.589  -1.499  0.00  0.00    +0.137 A 
ATOM     15  F   LIG    1       -3.204   0.469  -2.831  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -4.510   1.037  -0.967  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1       -4.678   1.139   0.419  0.00  0.00    -0.045 A 
ATOM     18  C   LIG    1       -5.963   1.656   0.995  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -3.606   0.806   1.255  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1       -2.401   0.359   0.710  0.00  0.00    +0.137 A 
ATOM     21  F   LIG    1       -1.401   0.064   1.553  0.00  0.00    -0.205 F 
ENDBRANCH  11  13
ENDBRANCH  10  11
BRANCH   1  22
ATOM     22  O   LIG    1        1.661   0.092  -0.107  0.00  0.00    -0.490 OA
BRANCH  22  23
ATOM     23  C   LIG    1        2.561   0.241  -1.214  0.00  0.00    +0.229 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.939   1.714  -1.352  0.00  0.00    +0.041 C 
BRANCH  24  26
ATOM     25  C   LIG    1        4.907   1.681   0.272  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1        3.581   2.325  -0.103  0.00  0.00    -0.000 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 6