REMARK  Name = BDB006709
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.658  -1.830  -0.067  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -3.480  -1.998  -0.948  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -2.166  -1.562  -0.752  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -1.259  -0.861   0.178  0.00  0.00    +0.149 C 
ATOM      5  N   LIG    1        0.048  -0.951  -0.559  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.112  -1.621  -1.813  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1        0.712  -1.890  -2.670  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.484  -1.970  -1.853  0.00  0.00    +0.126 A 
ATOM      9  N   LIG    1       -2.346  -2.598  -2.669  0.00  0.00    -0.272 N 
ATOM     10  H   LIG    1       -2.183  -3.021  -3.578  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1       -3.593  -2.639  -2.130  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        1.253  -0.463  -0.057  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        2.396  -0.436  -0.772  0.00  0.00    +0.118 A 
ATOM     14  N   LIG    1        3.562   0.076  -0.214  0.00  0.00    -0.285 N 
ATOM     15  C   LIG    1        3.640   0.579   1.071  0.00  0.00    +0.164 A 
ATOM     16  N   LIG    1        4.867   0.989   1.310  0.00  0.00    -0.129 NA
ATOM     17  N   LIG    1        5.615   0.762   0.179  0.00  0.00    -0.134 NA
ATOM     18  C   LIG    1        2.458   0.566   1.874  0.00  0.00    -0.004 A 
ATOM     19  C   LIG    1        2.447   1.083   3.290  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1        4.832   0.217  -0.731  0.00  0.00    +0.135 A 
ATOM     21  C   LIG    1        5.223  -0.191  -2.098  0.00  0.00    +0.088 C 
ATOM     22  C   LIG    1        1.328   0.061   1.319  0.00  0.00    +0.032 A 
ENDBRANCH   5  12
BRANCH   4  23
ATOM     23  C   LIG    1       -1.833   0.527   0.359  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -1.730   1.527  -0.621  0.00  0.00    +0.131 A 
ATOM     25  F   LIG    1       -1.105   1.279  -1.780  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1       -2.272   2.794  -0.431  0.00  0.00    +0.077 A 
ATOM     27  C   LIG    1       -2.932   3.074   0.754  0.00  0.00    +0.126 A 
ATOM     28  F   LIG    1       -3.458   4.290   0.947  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -3.061   2.110   1.747  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -2.515   0.839   1.552  0.00  0.00    +0.011 A 
ENDBRANCH   4  23
TORSDOF 2