REMARK  Name = BDB052628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.902  -1.111   0.454  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1       -1.093   0.070   0.244  0.00  0.00    -0.011 A 
ATOM      3  C   LIG    1       -0.170   0.125   1.273  0.00  0.00    +0.044 A 
ATOM      4  N   LIG    1       -0.398  -0.936   2.103  0.00  0.00    -0.358 N 
ATOM      5  H   LIG    1        0.126  -1.130   2.947  0.00  0.00    +0.166 HD
ATOM      6  C   LIG    1       -1.433  -1.705   1.624  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -1.857  -2.912   2.386  0.00  0.00    +0.064 C 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.859   1.025   1.627  0.00  0.00    +0.039 C 
ATOM      9  C   LIG    1        2.050   1.065   1.011  0.00  0.00    +0.048 C 
ATOM     10  C   LIG    1        2.652   0.285  -0.076  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        3.925   0.838  -0.280  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1        4.805   0.364  -1.235  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        4.381  -0.715  -2.011  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1        3.113  -1.278  -1.807  0.00  0.00    +0.124 A 
ATOM     15  F   LIG    1        2.738  -2.320  -2.561  0.00  0.00    -0.205 F 
ATOM     16  N   LIG    1        4.154   1.888   0.605  0.00  0.00    -0.281 N 
ATOM     17  H   LIG    1        4.995   2.442   0.662  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1        2.235  -0.789  -0.840  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1        3.067   2.091   1.438  0.00  0.00    +0.249 C 
ATOM     20  O   LIG    1        2.961   2.915   2.326  0.00  0.00    -0.270 OA
ENDBRANCH   3   8
BRANCH   1  22
ATOM     21  C   LIG    1       -3.549  -2.962  -0.275  0.00  0.00    +0.091 C 
ATOM     22  C   LIG    1       -3.012  -1.561  -0.407  0.00  0.00    +0.162 C 
ATOM     23  O   LIG    1       -3.516  -0.807  -1.242  0.00  0.00    -0.292 OA
ENDBRANCH   1  22
BRANCH   2  24
ATOM     24  C   LIG    1       -1.214   1.062  -0.881  0.00  0.00    +0.049 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.229   2.158  -0.577  0.00  0.00    +0.125 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.335   3.119  -1.724  0.00  0.00    +0.305 C 
ATOM     27  O   LIG    1       -1.623   3.180  -2.713  0.00  0.00    -0.251 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -3.339   4.003  -1.553  0.00  0.00    -0.481 OA
ATOM     29  H   LIG    1       -3.303   4.559  -2.359  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   2  24
TORSDOF 6