REMARK  Name = BDB048323
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.607   2.452   0.746  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.028   1.249  -0.062  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.038   0.334  -0.401  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.598   0.644  -0.255  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -0.780  -0.594  -0.333  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -1.300  -1.826  -0.653  0.00  0.00    +0.044 A 
ATOM      7  N   LIG    1       -0.268  -2.703  -0.625  0.00  0.00    -0.279 N 
ATOM      8  H   LIG    1       -0.275  -3.703  -0.799  0.00  0.00    +0.189 HD
ATOM      9  N   LIG    1        0.900  -2.117  -0.324  0.00  0.00    -0.158 NA
ATOM     10  C   LIG    1       -2.722  -2.108  -0.946  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1        0.609  -0.823  -0.138  0.00  0.00    +0.150 A 
ATOM     12  C   LIG    1       -3.411  -0.775  -1.307  0.00  0.00    +0.114 C 
ATOM     13  O   LIG    1       -5.209   1.105  -0.381  0.00  0.00    -0.276 OA
ENDROOT
BRANCH  11  14
ATOM     14  N   LIG    1        1.462   0.177   0.187  0.00  0.00    -0.296 N 
ATOM     15  H   LIG    1        1.090   1.115   0.296  0.00  0.00    +0.154 HD
BRANCH  14  16
ATOM     16  C   LIG    1        2.857   0.190   0.427  0.00  0.00    +0.068 A 
ATOM     17  C   LIG    1        3.466   1.416   0.751  0.00  0.00    +0.144 A 
ATOM     18  F   LIG    1        2.705   2.522   0.820  0.00  0.00    -0.204 F 
ATOM     19  C   LIG    1        4.831   1.526   1.003  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1        5.631   0.390   0.935  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        5.055  -0.839   0.616  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.680  -0.937   0.364  0.00  0.00    +0.026 A 
ENDBRANCH  14  16
ENDBRANCH  11  14
TORSDOF 2