REMARK  Name = BDB042799
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.035   1.938  -2.015  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1        0.681   0.804  -1.279  0.00  0.00    +0.078 C 
ATOM      3  C   LIG    1        0.133   0.495   0.134  0.00  0.00    +0.077 C 
ATOM      4  C   LIG    1        0.997  -0.611   0.762  0.00  0.00    +0.077 A 
ATOM      5  C   LIG    1        2.426  -0.624   0.418  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        3.262  -1.514   1.084  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        2.662  -2.459   2.034  0.00  0.00    +0.273 A 
ATOM      8  N   LIG    1        1.301  -2.361   2.204  0.00  0.00    -0.242 N 
ATOM      9  H   LIG    1        0.870  -2.994   2.872  0.00  0.00    +0.192 HD
ATOM     10  O   LIG    1        3.347  -3.282   2.630  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1        4.636  -1.496   0.852  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        5.148  -0.568  -0.045  0.00  0.00    +0.126 A 
ATOM     13  F   LIG    1        6.467  -0.526  -0.268  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        4.312   0.321  -0.721  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1        2.930   0.281  -0.517  0.00  0.00    +0.040 A 
ATOM     16  N   LIG    1        0.482  -1.440   1.622  0.00  0.00    -0.175 NA
ATOM     17  N   LIG    1        2.110   1.175  -1.217  0.00  0.00    -0.340 N 
ATOM     18  H   LIG    1        2.257   2.133  -0.896  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   3  19
ATOM     19  C   LIG    1       -1.387   0.139   0.215  0.00  0.00    +0.067 C 
ATOM     20  N   LIG    1       -2.245   1.339   0.011  0.00  0.00    -0.302 NA
ATOM     21  C   LIG    1       -2.401   2.097   1.257  0.00  0.00    +0.105 C 
ATOM     22  C   LIG    1       -3.564   1.033  -0.573  0.00  0.00    +0.084 C 
ATOM     23  C   LIG    1       -4.129  -0.314  -0.133  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1       -3.207  -1.462  -0.534  0.00  0.00    +0.003 C 
ATOM     25  C   LIG    1       -1.767  -1.000  -0.757  0.00  0.00    +0.019 C 
ENDBRANCH   3  19
TORSDOF 1