REMARK  Name = BDB039610
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.190  -0.788   0.320  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        0.826  -2.206   0.485  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.644  -2.319   0.946  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.882  -1.687   2.253  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.000  -0.543   2.517  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        0.574   0.160   1.265  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.027  -0.019  -1.087  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        4.895  -0.290   0.233  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1        3.648  -0.549   0.716  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        3.606  -0.826   2.189  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        2.497  -0.544  -0.092  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        2.687  -0.264  -1.452  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        3.955   0.006  -1.963  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        8.082  -0.094  -3.334  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        6.733  -0.202  -2.837  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        6.139  -0.910  -3.243  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        6.420   0.270  -1.568  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.226   0.873  -0.866  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -2.293  -1.512   2.599  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.068  -0.481   1.812  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.782  -0.849   0.668  0.00  0.00    +0.152 A 
ATOM     22  F   LIG    1       -3.786  -2.131   0.266  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1       -4.505   0.092  -0.067  0.00  0.00    +0.088 A 
ATOM     24  N   LIG    1       -5.218  -0.308  -1.219  0.00  0.00    -0.303 N 
ATOM     25  H   LIG    1       -5.191  -1.284  -1.490  0.00  0.00    +0.171 HD
ATOM     26  C   LIG    1       -5.987   0.521  -2.014  0.00  0.00    +0.348 A 
ATOM     27  N   LIG    1       -5.987   1.866  -1.573  0.00  0.00    -0.181 N 
ATOM     28  C   LIG    1       -5.309   2.354  -0.469  0.00  0.00    +0.081 A 
ATOM     29  C   LIG    1       -5.576   3.704  -0.416  0.00  0.00    +0.050 A 
ATOM     30  C   LIG    1       -6.424   3.946  -1.510  0.00  0.00    +0.135 A 
ATOM     31  N   LIG    1       -6.682   2.845  -2.217  0.00  0.00    -0.170 NA
ATOM     32  O   LIG    1       -6.614   0.155  -3.001  0.00  0.00    -0.245 OA
ATOM     33  C   LIG    1       -4.530   1.431   0.339  0.00  0.00    +0.027 A 
ATOM     34  C   LIG    1       -3.834   1.814   1.486  0.00  0.00    +0.012 A 
ATOM     35  C   LIG    1       -3.112   0.863   2.217  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4