REMARK  Name = BDB048842
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.170   1.506  -0.722  0.00  0.00    -0.083 NA
ATOM      2  C   LIG    1       -1.264   0.340  -0.184  0.00  0.00    +0.133 C 
ATOM      3  C   LIG    1       -2.499  -0.457  -0.325  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -2.470  -1.422   0.689  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -3.547  -2.262   0.877  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -4.635  -2.146   0.002  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.645  -1.178  -1.022  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -1.320  -1.301   1.471  0.00  0.00    -0.312 N 
ATOM      9  H   LIG    1       -0.936  -2.105   1.963  0.00  0.00    +0.152 HD
ATOM     10  C   LIG    1       -3.568  -0.306  -1.188  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -0.422  -0.467   0.798  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1        0.918  -0.524   0.874  0.00  0.00    +0.069 C 
ATOM     13  C   LIG    1        2.022   0.035   0.080  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        3.196  -0.317   0.753  0.00  0.00    +0.077 A 
ATOM     15  C   LIG    1        4.449   0.024   0.280  0.00  0.00    +0.145 A 
ATOM     16  C   LIG    1        4.543   0.714  -0.923  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        3.379   1.024  -1.642  0.00  0.00    +0.004 A 
ATOM     18  F   LIG    1        5.555  -0.327   0.947  0.00  0.00    -0.204 F 
ATOM     19  N   LIG    1        2.912  -1.096   1.872  0.00  0.00    -0.279 N 
ATOM     20  H   LIG    1        3.604  -1.524   2.469  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1        2.113   0.666  -1.151  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1        1.555  -1.338   1.976  0.00  0.00    +0.251 C 
ATOM     23  O   LIG    1        1.001  -2.072   2.775  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  25
ATOM     24  C   LIG    1       -0.179   3.570  -0.664  0.00  0.00    +0.313 C 
ATOM     25  O   LIG    1       -0.114   2.238  -0.169  0.00  0.00    -0.397 OA
ENDBRANCH   1  25
TORSDOF 1