REMARK  Name = BDB006723
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.809   1.433   0.045  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -3.178   0.377  -0.594  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1       -3.883  -0.651  -1.393  0.00  0.00    +0.065 C 
ATOM      4  C   LIG    1       -1.850   0.548  -0.292  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1       -0.503  -0.020  -0.502  0.00  0.00    +0.149 C 
ATOM      6  N   LIG    1        0.372   0.966   0.217  0.00  0.00    -0.253 N 
ATOM      7  C   LIG    1       -0.400   2.006   0.826  0.00  0.00    +0.272 C 
ATOM      8  O   LIG    1       -0.032   2.963   1.488  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1       -1.771   1.702   0.474  0.00  0.00    +0.153 A 
ATOM     10  N   LIG    1       -2.955   2.261   0.703  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        1.765   0.862   0.219  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        2.424  -0.060  -0.516  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1        3.814  -0.128  -0.477  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1        4.602   0.711   0.285  0.00  0.00    +0.164 A 
ATOM     15  N   LIG    1        5.869   0.401   0.112  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1        5.929  -0.651  -0.771  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1        3.954   1.704   1.083  0.00  0.00    -0.004 A 
ATOM     18  C   LIG    1        4.723   2.662   1.955  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1        4.699  -0.966  -1.121  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1        4.301  -2.043  -2.053  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1        2.599   1.757   1.037  0.00  0.00    +0.032 A 
ENDBRANCH   6  11
BRANCH   5  22
ATOM     22  C   LIG    1       -0.535  -1.399   0.120  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1       -0.561  -2.519  -0.720  0.00  0.00    +0.130 A 
ATOM     24  F   LIG    1       -0.538  -2.348  -2.050  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -0.596  -3.816  -0.218  0.00  0.00    +0.058 A 
ATOM     26  C   LIG    1       -0.606  -4.008   1.159  0.00  0.00    +0.044 A 
ATOM     27 CL   LIG    1       -0.651  -5.604   1.797  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1       -0.580  -2.916   2.024  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -0.545  -1.617   1.509  0.00  0.00    +0.010 A 
ENDBRANCH   5  22
BRANCH   1  31
ATOM     30  C   LIG    1       -5.638   2.701  -1.015  0.00  0.00    +0.029 C 
ATOM     31  C   LIG    1       -5.231   1.730   0.078  0.00  0.00    +0.140 C 
ENDBRANCH   1  31
TORSDOF 3