REMARK  Name = BDB051604
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.006   0.465  -0.723  0.00  0.00    -0.239 N 
ATOM      2  N   LIG    1       -1.971   0.101   0.174  0.00  0.00    -0.166 NA
ATOM      3  C   LIG    1       -3.140   0.136  -0.496  0.00  0.00    +0.108 A 
ATOM      4  C   LIG    1       -2.879   0.537  -1.851  0.00  0.00    +0.056 A 
ATOM      5  C   LIG    1       -3.820   0.693  -2.861  0.00  0.00    +0.134 A 
ATOM      6  C   LIG    1       -5.129   0.416  -2.446  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1       -5.443   0.014  -1.112  0.00  0.00    +0.018 A 
ATOM      8  F   LIG    1       -3.530   1.068  -4.109  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -4.466  -0.141  -0.089  0.00  0.00    +0.064 A 
ATOM     10  C   LIG    1       -1.533   0.737  -1.967  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        3.055   0.647   0.504  0.00  0.00    -0.033 A 
ATOM     12  C   LIG    1        2.701   0.957  -0.815  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1        1.365   0.901  -1.230  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        0.361   0.530  -0.326  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1        0.713   0.213   0.994  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        2.048   0.270   1.403  0.00  0.00    +0.007 A 
BRANCH  11  17
ATOM     17  C   LIG    1        4.496   0.702   0.955  0.00  0.00    +0.116 C 
BRANCH  17  19
ATOM     18  C   LIG    1        6.413  -0.598   1.604  0.00  0.00    +0.101 C 
ATOM     19  N   LIG    1        5.010  -0.640   1.221  0.00  0.00    -0.315 NA
ATOM     20  H   LIG    1        4.901  -1.207   0.381  0.00  0.00    +0.122 HD
ENDBRANCH  17  19
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   9  21
ATOM     21  C   LIG    1       -4.850  -0.558   1.271  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1       -6.019  -0.782   1.558  0.00  0.00    -0.270 OA
ATOM     23  N   LIG    1       -3.854  -0.685   2.193  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -4.087  -0.973   3.132  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -2.882  -0.502   1.951  0.00  0.00    +0.145 HD
ENDBRANCH   9  21
TORSDOF 4