REMARK  Name = BDB057319
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.094   2.413  -0.632  0.00  0.00    +0.065 C 
ATOM      2  C   LIG    1        3.600   1.088  -0.227  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        2.223   0.713   0.046  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1        1.084   1.595   0.040  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1       -0.003   1.341  -0.790  0.00  0.00    +0.059 A 
ATOM      6  C   LIG    1       -1.173   2.079  -0.625  0.00  0.00    +0.161 A 
ATOM      7  O   LIG    1       -2.340   1.791  -1.286  0.00  0.00    -0.481 OA
ATOM      8  C   LIG    1       -2.666   0.387  -1.395  0.00  0.00    +0.201 C 
ATOM      9  C   LIG    1       -2.743  -0.301  -0.033  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -1.974  -1.440   0.292  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -1.052  -2.052  -0.691  0.00  0.00    +0.247 C 
ATOM     12  N   LIG    1        0.326  -2.109  -0.430  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        0.987  -1.512   0.742  0.00  0.00    +0.163 C 
ATOM     14  C   LIG    1        1.122  -2.936  -1.333  0.00  0.00    +0.132 C 
ATOM     15  O   LIG    1       -1.554  -2.489  -1.722  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1       -2.117  -2.077   1.536  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1       -2.982  -1.549   2.493  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1       -3.706  -0.401   2.199  0.00  0.00    +0.124 A 
ATOM     19  F   LIG    1       -4.528   0.110   3.123  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -3.598   0.220   0.958  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -4.007   0.295  -2.128  0.00  0.00    +0.057 C 
ATOM     22  C   LIG    1       -1.173   3.150   0.277  0.00  0.00    +0.158 A 
ATOM     23  N   LIG    1       -0.104   3.452   1.038  0.00  0.00    -0.236 NA
ATOM     24  C   LIG    1        0.988   2.666   0.921  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1        2.191  -0.715   0.383  0.00  0.00    +0.062 A 
ATOM     26  N   LIG    1        3.524  -1.209   0.360  0.00  0.00    -0.292 N 
ATOM     27  C   LIG    1        4.066  -2.518   0.679  0.00  0.00    +0.170 C 
ATOM     28  N   LIG    1        4.418  -0.041  -0.049  0.00  0.00    -0.301 N 
ATOM     29  H   LIG    1        5.431  -0.104  -0.179  0.00  0.00    +0.187 HD
ENDROOT
BRANCH  22  30
ATOM     30  N   LIG    1       -2.326   3.892   0.516  0.00  0.00    -0.340 N 
ATOM     31  H   LIG    1       -2.778   4.175  -0.346  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1       -2.100   4.669   1.129  0.00  0.00    +0.144 HD
ENDBRANCH  22  30
TORSDOF 1