REMARK  Name = BDB042750
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.271  -2.792  -1.561  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1        0.403  -1.526  -1.559  0.00  0.00    +0.078 C 
ATOM      3  C   LIG    1       -0.175  -1.222  -0.161  0.00  0.00    +0.077 C 
ATOM      4  C   LIG    1        0.900  -0.635   0.749  0.00  0.00    +0.077 A 
ATOM      5  C   LIG    1        1.988   0.132   0.125  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        2.907   0.763   0.957  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        2.788   0.572   2.409  0.00  0.00    +0.273 A 
ATOM      8  N   LIG    1        1.771  -0.252   2.827  0.00  0.00    -0.242 N 
ATOM      9  H   LIG    1        1.659  -0.388   3.827  0.00  0.00    +0.192 HD
ATOM     10  O   LIG    1        3.570   1.111   3.183  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1        3.925   1.545   0.413  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        3.997   1.677  -0.966  0.00  0.00    +0.126 A 
ATOM     13  F   LIG    1        4.956   2.440  -1.506  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        3.090   1.028  -1.804  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1        2.092   0.208  -1.268  0.00  0.00    +0.040 A 
ATOM     16  N   LIG    1        0.825  -0.828   2.033  0.00  0.00    -0.175 NA
ATOM     17  N   LIG    1        1.164  -0.404  -2.117  0.00  0.00    -0.340 N 
ATOM     18  H   LIG    1        1.528  -0.581  -3.052  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   3  19
ATOM     19  C   LIG    1       -1.474  -0.352  -0.215  0.00  0.00    +0.067 C 
ATOM     20  N   LIG    1       -2.221  -0.478   1.063  0.00  0.00    -0.302 NA
ATOM     21  C   LIG    1       -3.159  -1.601   1.044  0.00  0.00    +0.105 C 
ATOM     22  C   LIG    1       -2.866   0.755   1.525  0.00  0.00    +0.084 C 
ATOM     23  C   LIG    1       -3.537   1.534   0.401  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1       -2.548   1.903  -0.699  0.00  0.00    +0.003 C 
ATOM     25  C   LIG    1       -1.236   1.123  -0.601  0.00  0.00    +0.019 C 
ENDBRANCH   3  19
TORSDOF 1