REMARK  Name = BDB041258
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.097   1.118  -0.506  0.00  0.00    -0.292 NA
ATOM      2  C   LIG    1        1.177   1.595  -1.062  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1        2.209   0.796  -0.267  0.00  0.00    +0.222 C 
ATOM      4  C   LIG    1        1.583  -0.596  -0.314  0.00  0.00    +0.222 C 
ATOM      5  F   LIG    1        1.905  -1.203  -1.494  0.00  0.00    -0.240 F 
ATOM      6  C   LIG    1        0.075  -0.337  -0.312  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -1.234   1.466  -1.360  0.00  0.00    +0.121 C 
BRANCH   7  17
ATOM      8  C   LIG    1       -7.086  -0.502   0.720  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -6.750  -1.265  -0.528  0.00  0.00    +0.252 A 
ATOM     10  O   LIG    1       -7.510  -2.106  -0.999  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1       -5.549  -0.986  -1.127  0.00  0.00    -0.321 N 
ATOM     12  H   LIG    1       -5.342  -1.507  -1.968  0.00  0.00    +0.169 HD
ATOM     13  C   LIG    1       -4.641  -0.048  -0.622  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1       -4.942   0.653   0.543  0.00  0.00    +0.088 A 
ATOM     15  N   LIG    1       -4.125   1.571   1.100  0.00  0.00    -0.253 NA
ATOM     16  C   LIG    1       -2.953   1.793   0.459  0.00  0.00    +0.116 A 
ATOM     17  C   LIG    1       -2.558   1.147  -0.714  0.00  0.00    -0.013 A 
ATOM     18  C   LIG    1       -3.433   0.201  -1.262  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1       -6.210   0.392   1.214  0.00  0.00    +0.038 A 
BRANCH   8  21
ATOM     20  C   LIG    1       -9.574  -0.152   0.680  0.00  0.00    +0.009 C 
ATOM     21  C   LIG    1       -8.398  -0.813   1.386  0.00  0.00    +0.037 C 
ENDBRANCH   8  21
ENDBRANCH   7  17
ENDBRANCH   1   7
BRANCH   3  22
ATOM     22  O   LIG    1        3.482   0.881  -0.899  0.00  0.00    -0.483 OA
BRANCH  22  23
ATOM     23  C   LIG    1        4.568   0.390  -0.238  0.00  0.00    +0.139 A 
ATOM     24  C   LIG    1        5.744   0.309  -0.978  0.00  0.00    +0.157 A 
ATOM     25  N   LIG    1        6.930  -0.143  -0.503  0.00  0.00    -0.247 NA
ATOM     26  C   LIG    1        6.957  -0.543   0.791  0.00  0.00    +0.126 A 
ATOM     27  C   LIG    1        5.831  -0.493   1.611  0.00  0.00    +0.036 A 
ATOM     28  C   LIG    1        4.624  -0.019   1.089  0.00  0.00    +0.049 A 
BRANCH  26  29
ATOM     29  C   LIG    1        8.244  -1.054   1.376  0.00  0.00    +0.262 C 
ATOM     30  N   LIG    1        9.401  -1.157   0.637  0.00  0.00    -0.313 N 
ATOM     31  H   LIG    1       10.182  -1.518   1.169  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1        9.618  -0.836  -0.753  0.00  0.00    +0.128 C 
ATOM     33  O   LIG    1        8.281  -1.399   2.559  0.00  0.00    -0.269 OA
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 6