REMARK  Name = BDB041320
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.463   0.150   0.260  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1       -1.995  -0.961  -0.571  0.00  0.00    +0.003 A 
ATOM      3  C   LIG    1       -0.564  -1.255  -0.596  0.00  0.00    +0.039 A 
ATOM      4  C   LIG    1       -0.088  -2.232  -1.382  0.00  0.00    +0.097 A 
ATOM      5  N   LIG    1       -0.946  -2.983  -2.147  0.00  0.00    -0.328 N 
ATOM      6  H   LIG    1       -0.592  -3.727  -2.738  0.00  0.00    +0.168 HD
ATOM      7  C   LIG    1       -2.306  -2.804  -2.169  0.00  0.00    +0.249 A 
ATOM      8  O   LIG    1       -3.052  -3.493  -2.854  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1        0.322  -0.395   0.283  0.00  0.00    +0.128 A 
ATOM     10  N   LIG    1       -0.179   0.587   0.993  0.00  0.00    -0.239 NA
ATOM     11  C   LIG    1       -2.831  -1.710  -1.317  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1       -1.534   0.824   0.969  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  18
ATOM     13  C   LIG    1       -7.297   1.040   1.450  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1       -5.939   1.012   0.858  0.00  0.00    +0.061 A 
ATOM     15  N   LIG    1       -5.649   1.778  -0.199  0.00  0.00    -0.176 NA
ATOM     16  N   LIG    1       -4.356   1.505  -0.466  0.00  0.00    -0.266 N 
ATOM     17  C   LIG    1       -3.711   2.181  -1.569  0.00  0.00    +0.173 C 
ATOM     18  C   LIG    1       -3.813   0.578   0.392  0.00  0.00    +0.071 A 
ATOM     19  C   LIG    1       -4.826   0.243   1.265  0.00  0.00    +0.052 A 
ENDBRANCH   1  18
BRANCH   9  20
ATOM     20  N   LIG    1        1.685  -0.625   0.358  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1        1.978  -1.580   0.193  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.505   0.031   1.363  0.00  0.00    +0.141 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.954  -0.218   1.056  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        4.625   0.463   0.045  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.156   1.552  -0.845  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1        5.311   1.568  -1.846  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1        6.482   0.984  -1.229  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        5.966   0.216  -0.217  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1        6.699  -0.709   0.499  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        6.043  -1.418   1.505  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        4.688  -1.173   1.770  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1        4.090  -1.883   2.738  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   9  20
TORSDOF 4