REMARK  Name = BDB042519
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.801   0.101  -0.923  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1        2.734  -0.797  -0.413  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1        1.322  -0.211  -0.612  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        1.183   1.138  -0.044  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        0.005   1.689   0.437  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -0.034   2.824   0.911  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        2.394   1.969  -0.049  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        3.410   1.515  -1.107  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  14
ATOM      9  C   LIG    1        6.901  -1.846  -0.280  0.00  0.00    +0.089 A 
ATOM     10  C   LIG    1        7.638  -0.949   0.482  0.00  0.00    +0.141 A 
ATOM     11  F   LIG    1        8.857  -1.275   0.933  0.00  0.00    -0.204 F 
ATOM     12  C   LIG    1        7.122   0.302   0.791  0.00  0.00    +0.041 A 
ATOM     13  C   LIG    1        5.851   0.664   0.330  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1        5.076  -0.215  -0.442  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        5.628  -1.476  -0.735  0.00  0.00    +0.044 A 
BRANCH   9  17
ATOM     16  N   LIG    1        7.837  -4.185  -0.877  0.00  0.00    -0.191 NA
ATOM     17  C   LIG    1        7.435  -3.132  -0.602  0.00  0.00    +0.102 C 
ENDBRANCH   9  17
ENDBRANCH   1  14
BRANCH   5  18
ATOM     18  C   LIG    1       -1.239   0.822   0.355  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.491   1.590   0.786  0.00  0.00    +0.062 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.735   0.748   0.655  0.00  0.00    +0.020 A 
ATOM     21  N   LIG    1       -3.911  -0.259   1.576  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1       -3.230  -0.400   2.314  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1       -4.985  -1.125   1.616  0.00  0.00    +0.259 A 
ATOM     24  O   LIG    1       -5.049  -1.997   2.473  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1       -6.021  -0.930   0.575  0.00  0.00    +0.082 A 
ATOM     26  C   LIG    1       -5.848   0.103  -0.361  0.00  0.00    -0.008 A 
ATOM     27  C   LIG    1       -6.818   0.307  -1.351  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1       -7.948  -0.512  -1.408  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -8.113  -1.536  -0.477  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -7.151  -1.742   0.510  0.00  0.00    +0.136 A 
ATOM     31  F   LIG    1       -7.352  -2.739   1.383  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -4.659   0.957  -0.296  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 5