REMARK  Name = BDB028402
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.043  -3.968  -1.789  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -1.069  -3.652  -0.768  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -0.625  -2.401  -0.390  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.241  -2.635   0.673  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        0.252  -4.040   0.827  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -0.518  -4.659  -0.066  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        0.932  -1.624   1.454  0.00  0.00    -0.011 A 
ATOM      8  C   LIG    1        1.645  -0.590   0.833  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        2.287   0.394   1.600  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        2.227   0.338   2.991  0.00  0.00    +0.085 A 
ATOM     11  C   LIG    1        2.899   1.383   3.779  0.00  0.00    +0.275 A 
ATOM     12  N   LIG    1        3.531   2.368   3.058  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        3.995   3.099   3.588  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        3.607   2.453   1.704  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1        2.905   1.390   5.003  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        1.532  -0.700   3.608  0.00  0.00    +0.137 A 
ATOM     17  F   LIG    1        1.455  -0.796   4.942  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        3.033   1.526   0.995  0.00  0.00    +0.083 A 
ATOM     19  C   LIG    1        0.887  -1.676   2.850  0.00  0.00    +0.047 A 
BRANCH  18  20
ATOM     20  C   LIG    1        3.138   1.649  -0.523  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  N   LIG    1        1.852   2.096  -1.061  0.00  0.00    -0.325 NA
ATOM     22  H   LIG    1        1.616   2.994  -0.632  0.00  0.00    +0.119 HD
ATOM     23  H   LIG    1        1.959   2.294  -2.055  0.00  0.00    +0.119 HD
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   4   7
BRANCH   3  24
ATOM     24  C   LIG    1       -1.075  -1.154  -1.022  0.00  0.00    +0.019 A 
ATOM     25  C   LIG    1       -1.899  -0.217  -0.362  0.00  0.00    +0.069 A 
ATOM     26  C   LIG    1       -2.291   0.992  -1.007  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -1.839   1.231  -2.329  0.00  0.00    -0.017 A 
ATOM     28  C   LIG    1       -2.206   2.412  -2.996  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -3.014   3.365  -2.378  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -3.466   3.149  -1.083  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -1.024   0.290  -2.970  0.00  0.00    +0.009 A 
ATOM     32  C   LIG    1       -3.110   1.980  -0.407  0.00  0.00    +0.010 A 
ATOM     33  C   LIG    1       -0.643  -0.885  -2.326  0.00  0.00    +0.012 A 
BRANCH  25  34
ATOM     34  C   LIG    1       -2.359  -0.494   0.973  0.00  0.00    +0.100 C 
ATOM     35  N   LIG    1       -2.739  -0.703   2.050  0.00  0.00    -0.191 NA
ENDBRANCH  25  34
ENDBRANCH   3  24
TORSDOF 5