REMARK  Name = BDB052255
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.644   0.013   0.163  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1        4.303  -0.315  -0.127  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1        4.038  -1.407  -0.949  0.00  0.00    +0.070 A 
ATOM      4  N   LIG    1        2.671  -1.452  -1.030  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1        2.125  -2.126  -1.550  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        2.142  -0.423  -0.282  0.00  0.00    +0.142 A 
ATOM      7  C   LIG    1        5.037  -2.205  -1.510  0.00  0.00    +0.066 A 
ATOM      8  C   LIG    1        6.354  -1.859  -1.207  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1        7.348  -2.595  -1.721  0.00  0.00    -0.205 F 
ATOM     10  N   LIG    1        3.118   0.276   0.272  0.00  0.00    -0.227 NA
ATOM     11  C   LIG    1        6.666  -0.777  -0.391  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1        0.706  -0.168  -0.142  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1       -0.262  -0.959  -0.771  0.00  0.00    +0.134 A 
ATOM     14  F   LIG    1        0.106  -2.002  -1.534  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -1.627  -0.702  -0.629  0.00  0.00    +0.044 A 
ATOM     16  C   LIG    1       -2.069   0.376   0.151  0.00  0.00    -0.028 A 
ATOM     17  C   LIG    1       -1.105   1.164   0.798  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1        0.262   0.899   0.649  0.00  0.00    +0.015 A 
BRANCH  16  19
ATOM     19  C   LIG    1       -3.547   0.677   0.347  0.00  0.00    +0.084 C 
ATOM     20  N   LIG    1       -4.126  -0.237   1.341  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1       -3.607  -1.113   1.369  0.00  0.00    +0.123 HD
ATOM     22  C   LIG    1       -5.547  -0.524   1.144  0.00  0.00    +0.081 C 
ATOM     23  C   LIG    1       -6.318   0.681   0.616  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1       -5.784   1.143  -0.740  0.00  0.00    +0.003 C 
ATOM     25  C   LIG    1       -4.336   0.710  -0.973  0.00  0.00    +0.023 C 
ENDBRANCH  16  19
ENDBRANCH   6  12
BRANCH   1  29
ATOM     26  N   LIG    1        4.989   1.902   1.549  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1        4.016   1.676   1.352  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1        5.209   2.686   2.145  0.00  0.00    +0.145 HD
ATOM     29  C   LIG    1        6.007   1.158   1.029  0.00  0.00    +0.244 C 
ATOM     30  O   LIG    1        7.177   1.430   1.270  0.00  0.00    -0.270 OA
ENDBRANCH   1  29
TORSDOF 3