REMARK  Name = BDB042511
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.626  -0.479   0.463  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1        1.941   0.834   0.368  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1        1.712   1.244  -1.104  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        1.013   0.174  -1.830  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.357   0.144  -2.056  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -0.941  -0.897  -2.363  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        1.729  -1.110  -1.777  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        1.929  -1.550  -0.310  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1        6.842  -0.804   0.800  0.00  0.00    +0.087 A 
ATOM     10  C   LIG    1        6.257   0.394   0.413  0.00  0.00    +0.142 A 
ATOM     11  F   LIG    1        7.019   1.464   0.140  0.00  0.00    -0.204 F 
ATOM     12  C   LIG    1        4.870   0.520   0.296  0.00  0.00    +0.062 A 
ATOM     13  C   LIG    1        4.015  -0.560   0.550  0.00  0.00    +0.033 A 
ATOM     14  C   LIG    1        4.626  -1.761   0.961  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        6.017  -1.891   1.081  0.00  0.00    +0.023 A 
BRANCH   9  17
ATOM     16  N   LIG    1        9.412  -1.038   1.017  0.00  0.00    -0.191 NA
ATOM     17  C   LIG    1        8.262  -0.916   0.916  0.00  0.00    +0.102 C 
ENDBRANCH   9  17
ENDBRANCH   1  13
BRANCH   5  18
ATOM     18  C   LIG    1       -1.110   1.460  -1.923  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.607   1.333  -2.230  0.00  0.00    +0.062 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.402   0.751  -1.083  0.00  0.00    +0.020 A 
ATOM     21  N   LIG    1       -3.215  -0.584  -0.807  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1       -2.556  -1.123  -1.375  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1       -3.842  -1.290   0.199  0.00  0.00    +0.259 A 
ATOM     24  O   LIG    1       -3.597  -2.475   0.389  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1       -4.809  -0.527   1.023  0.00  0.00    +0.082 A 
ATOM     26  C   LIG    1       -5.011   0.834   0.737  0.00  0.00    -0.008 A 
ATOM     27  C   LIG    1       -5.922   1.573   1.503  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1       -6.624   0.962   2.546  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -6.417  -0.389   2.825  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -5.512  -1.128   2.065  0.00  0.00    +0.136 A 
ATOM     31  F   LIG    1       -5.347  -2.421   2.373  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -4.271   1.470  -0.356  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 5