REMARK  Name = BDB021924
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.576  -0.089   0.481  0.00  0.00    -0.298 NA
ATOM      2  C   LIG    1       -0.628   1.247   1.109  0.00  0.00    +0.100 C 
ATOM      3  C   LIG    1       -1.893   1.501   1.974  0.00  0.00    +0.100 C 
ATOM      4  N   LIG    1       -3.064   0.663   1.649  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1       -2.662  -0.760   1.741  0.00  0.00    +0.100 C 
ATOM      6  C   LIG    1       -1.188  -1.088   1.372  0.00  0.00    +0.100 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        0.797  -0.476   0.112  0.00  0.00    +0.103 C 
BRANCH   7   8
ATOM      8  C   LIG    1        1.391   0.403  -1.006  0.00  0.00    +0.121 C 
BRANCH   8  13
ATOM      9  O   LIG    1        3.749   0.622   0.444  0.00  0.00    -0.253 OA
ATOM     10  C   LIG    1        3.809   0.121  -0.671  0.00  0.00    +0.304 C 
ATOM     11  N   LIG    1        4.935  -0.346  -1.313  0.00  0.00    -0.269 N 
ATOM     12  H   LIG    1        4.758  -0.933  -2.114  0.00  0.00    +0.156 HD
ATOM     13  N   LIG    1        2.691  -0.066  -1.463  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        2.862   0.031  -2.453  0.00  0.00    +0.150 HD
BRANCH  11  15
ATOM     15  C   LIG    1        6.271  -0.266  -0.875  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1        7.235  -0.952  -1.625  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        8.584  -0.913  -1.260  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        8.981  -0.184  -0.142  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        8.031   0.505   0.606  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        6.681   0.467   0.241  0.00  0.00    +0.023 A 
ENDBRANCH  11  15
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  21
ATOM     21  C   LIG    1       -3.587   0.999   0.312  0.00  0.00    +0.120 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.998   0.469   0.087  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1       -5.335  -0.375  -0.997  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1       -6.670  -0.806  -1.135  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1       -7.654  -0.411  -0.229  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -7.322   0.421   0.833  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.008   0.859   0.988  0.00  0.00    +0.005 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -4.308  -0.833  -2.007  0.00  0.00    +0.418 C 
ATOM     29  F   LIG    1       -3.316  -1.584  -1.454  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -3.693   0.205  -2.643  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1       -4.832  -1.604  -3.005  0.00  0.00    -0.166 F 
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 7