REMARK  Name = BDB039584
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.702  -0.584  -0.330  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        1.189  -0.847  -1.693  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.111   0.182  -2.105  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -1.048   0.237  -1.185  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.618   0.085   0.226  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        0.887   0.331   0.486  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.841  -0.809   0.180  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        5.194  -1.890  -0.306  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1        3.841  -1.813  -0.444  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        3.200  -3.090  -0.913  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        3.082  -0.659  -0.143  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        3.809   0.423   0.379  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        5.193   0.359   0.542  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.253  -0.597   1.803  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.858  -0.404   1.496  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.225  -0.239   2.268  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.327  -0.928   0.325  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.012  -1.467  -0.538  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.827   1.460  -1.419  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.207   1.410  -0.795  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1       -4.055   0.310  -1.018  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -5.330   0.278  -0.451  0.00  0.00    +0.054 A 
ATOM     23  N   LIG    1       -6.160  -0.849  -0.685  0.00  0.00    -0.319 N 
ATOM     24  H   LIG    1       -5.829  -1.619  -1.252  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -7.444  -0.985  -0.170  0.00  0.00    +0.294 A 
ATOM     26  C   LIG    1       -7.851   0.134   0.626  0.00  0.00    +0.220 A 
ATOM     27  C   LIG    1       -7.108   1.254   0.896  0.00  0.00    +0.127 A 
ATOM     28  N   LIG    1       -7.813   2.114   1.688  0.00  0.00    -0.215 NA
ATOM     29  C   LIG    1       -8.955   1.477   1.864  0.00  0.00    +0.309 A 
ATOM     30  O   LIG    1       -9.057   0.260   1.248  0.00  0.00    -0.437 OA
ATOM     31  O   LIG    1       -8.114  -1.985  -0.407  0.00  0.00    -0.264 OA
ATOM     32  C   LIG    1       -5.783   1.357   0.344  0.00  0.00    +0.063 A 
ATOM     33  C   LIG    1       -4.945   2.447   0.553  0.00  0.00    +0.135 A 
ATOM     34  F   LIG    1       -5.334   3.492   1.296  0.00  0.00    -0.205 F 
ATOM     35  C   LIG    1       -3.670   2.479  -0.012  0.00  0.00    +0.044 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4