REMARK  Name = BDB055867
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.195   0.017   0.728  0.00  0.00    +0.017 A 
ATOM      2  C   LIG    1       -1.343   0.628   1.985  0.00  0.00    +0.129 A 
ATOM      3  F   LIG    1       -2.538   0.649   2.595  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.283   1.260   2.628  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1        0.969   1.304   2.021  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1        1.160   0.724   0.764  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1        0.083   0.088   0.131  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1       -1.979  -1.508  -1.172  0.00  0.00    +0.042 C 
ATOM      9  C   LIG    1       -2.404  -0.678   0.063  0.00  0.00    +0.095 C 
ATOM     10  N   LIG    1       -2.977  -1.651   0.999  0.00  0.00    -0.226 NA
ATOM     11  C   LIG    1       -4.165  -1.545   1.450  0.00  0.00    +0.276 C 
ATOM     12  O   LIG    1       -5.080  -0.637   1.063  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1       -4.867  -0.046  -0.229  0.00  0.00    +0.282 C 
ATOM     14  C   LIG    1       -3.420   0.398  -0.360  0.00  0.00    +0.088 C 
BRANCH  13  15
ATOM     15  C   LIG    1       -5.389  -0.956  -1.339  0.00  0.00    +0.427 C 
ATOM     16  F   LIG    1       -4.952  -2.227  -1.250  0.00  0.00    -0.167 F 
ATOM     17  F   LIG    1       -6.745  -1.007  -1.305  0.00  0.00    -0.167 F 
ATOM     18  F   LIG    1       -5.045  -0.483  -2.560  0.00  0.00    -0.167 F 
ENDBRANCH  13  15
BRANCH  11  19
ATOM     19  N   LIG    1       -4.674  -2.375   2.383  0.00  0.00    -0.313 N 
ATOM     20  H   LIG    1       -4.158  -3.242   2.467  0.00  0.00    +0.147 HD
ATOM     21  H   LIG    1       -5.679  -2.473   2.365  0.00  0.00    +0.147 HD
ENDBRANCH  11  19
ENDBRANCH   1   9
BRANCH   6  22
ATOM     22  N   LIG    1        2.449   0.818   0.209  0.00  0.00    -0.280 N 
ATOM     23  H   LIG    1        3.166   1.283   0.762  0.00  0.00    +0.155 HD
ATOM     24  C   LIG    1        2.895   0.359  -1.015  0.00  0.00    +0.267 C 
ATOM     25  O   LIG    1        2.244  -0.216  -1.879  0.00  0.00    -0.268 OA
BRANCH  24  26
ATOM     26  C   LIG    1        4.353   0.638  -1.244  0.00  0.00    +0.126 A 
ATOM     27  N   LIG    1        5.003   1.301  -0.243  0.00  0.00    -0.249 NA
ATOM     28  C   LIG    1        6.320   1.556  -0.445  0.00  0.00    +0.130 A 
ATOM     29  C   LIG    1        7.016   1.186  -1.589  0.00  0.00    +0.070 A 
ATOM     30  C   LIG    1        6.323   0.510  -2.594  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        4.967   0.229  -2.422  0.00  0.00    +0.034 A 
BRANCH  29  32
ATOM     32  C   LIG    1        8.405   1.495  -1.722  0.00  0.00    +0.101 C 
ATOM     33  N   LIG    1        9.532   1.748  -1.826  0.00  0.00    -0.191 NA
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH   6  22
TORSDOF 6