REMARK  Name = BDB021975
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.994  -1.878   0.176  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -2.291  -0.697   0.062  0.00  0.00    +0.304 C 
ATOM      3  N   LIG    1       -1.345   0.306  -0.054  0.00  0.00    -0.296 N 
ATOM      4  H   LIG    1       -1.640   1.113  -0.583  0.00  0.00    +0.151 HD
ATOM      5  N   LIG    1       -3.561  -0.158   0.048  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1       -3.580   0.845   0.188  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.081  -0.013  -0.106  0.00  0.00    +0.077 C 
ATOM      8  C   LIG    1        0.491  -0.554  -1.475  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        1.979  -0.923  -1.493  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1        2.805  -0.105  -0.591  0.00  0.00    -0.298 NA
ATOM     11  C   LIG    1        2.279   1.252  -0.457  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1        0.921   1.220   0.256  0.00  0.00    +0.038 C 
BRANCH  10  13
ATOM     13  C   LIG    1        4.215  -0.136  -1.010  0.00  0.00    +0.119 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.171   0.376   0.047  0.00  0.00    -0.033 A 
ATOM     15  C   LIG    1        5.171  -0.176   1.337  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        6.064   0.282   2.307  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.970   1.294   1.996  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        6.985   1.847   0.717  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        6.093   1.389  -0.254  0.00  0.00    +0.005 A 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   5  20
ATOM     20  C   LIG    1       -4.801  -0.839   0.053  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -6.000  -0.113   0.219  0.00  0.00    +0.076 A 
ATOM     22  C   LIG    1       -7.233  -0.801   0.215  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1       -7.287  -2.181   0.039  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -6.108  -2.892  -0.134  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -4.878  -2.227  -0.129  0.00  0.00    +0.024 A 
BRANCH  21  26
ATOM     26  C   LIG    1       -6.051   1.379   0.431  0.00  0.00    +0.419 C 
ATOM     27  F   LIG    1       -6.929   2.000  -0.406  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -6.441   1.714   1.692  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -4.856   2.014   0.237  0.00  0.00    -0.166 F 
ENDBRANCH  21  26
ENDBRANCH   5  20
TORSDOF 5