REMARK  Name = BDB026349
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.551   0.939  -0.378  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        2.163   2.295  -0.799  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.871   2.737  -0.074  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.301   1.875  -0.336  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.109   0.475  -0.587  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.456   0.045   0.041  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.513  -0.369  -0.375  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        5.627  -1.050   0.391  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.351  -0.595   0.364  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        3.499  -1.267   1.159  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.871   0.509  -0.378  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.849   1.162  -1.143  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        6.177   0.730  -1.148  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.431  -2.533   0.670  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.125  -1.982   0.429  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.325  -2.300   0.970  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.927  -0.863  -0.352  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.813  -0.292  -0.978  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.278   1.999   0.755  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.645   1.449   0.401  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -3.285   0.531   1.246  0.00  0.00    +0.032 A 
ATOM     22  C   LIG    1       -4.551   0.043   0.915  0.00  0.00    +0.068 A 
ATOM     23  C   LIG    1       -5.208   0.461  -0.252  0.00  0.00    +0.088 A 
ATOM     24  N   LIG    1       -6.478  -0.021  -0.618  0.00  0.00    -0.245 NA
ATOM     25  C   LIG    1       -7.055  -0.884   0.168  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1       -6.439  -1.352   1.486  0.00  0.00    +0.271 A 
ATOM     27  O   LIG    1       -7.062  -2.083   2.242  0.00  0.00    -0.266 OA
ATOM     28  C   LIG    1       -4.573   1.379  -1.086  0.00  0.00    +0.030 A 
ATOM     29  N   LIG    1       -5.186  -0.869   1.763  0.00  0.00    -0.319 N 
ATOM     30  H   LIG    1       -4.756  -1.170   2.626  0.00  0.00    +0.169 HD
ATOM     31  C   LIG    1       -3.306   1.873  -0.763  0.00  0.00    +0.007 A 
BRANCH  25  32
ATOM     32  C   LIG    1       -8.387  -1.469  -0.205  0.00  0.00    +0.133 C 
BRANCH  32  33
ATOM     33  C   LIG    1       -8.178  -2.809  -0.866  0.00  0.00    +0.347 C 
ATOM     34  F   LIG    1       -7.435  -3.631  -0.089  0.00  0.00    -0.209 F 
ATOM     35  F   LIG    1       -7.508  -2.664  -2.035  0.00  0.00    -0.209 F 
ENDBRANCH  32  33
ENDBRANCH  25  32
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 6