REMARK  Name = BDB040871
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        7.919   1.245   0.953  0.00  0.00    +0.038 C 
ATOM      2  C   LIG    1        6.688   0.770   0.191  0.00  0.00    +0.156 C 
ATOM      3  N   LIG    1        5.431   1.399   0.675  0.00  0.00    -0.313 N 
ATOM      4  C   LIG    1        4.176   0.880   0.041  0.00  0.00    +0.134 C 
ATOM      5  C   LIG    1        3.278   0.674   1.248  0.00  0.00    +0.012 C 
ATOM      6  C   LIG    1        3.905   1.342   2.353  0.00  0.00    +0.142 C 
ATOM      7  F   LIG    1        3.377   1.421   3.581  0.00  0.00    -0.204 F 
ATOM      8  C   LIG    1        2.261  -0.195   1.255  0.00  0.00    +0.016 C 
ATOM      9  C   LIG    1        2.025  -1.023   0.074  0.00  0.00    -0.000 C 
ATOM     10  C   LIG    1        3.022  -1.192  -0.825  0.00  0.00    +0.127 C 
ATOM     11  F   LIG    1        2.831  -2.036  -1.866  0.00  0.00    -0.208 F 
ATOM     12  C   LIG    1        4.329  -0.430  -0.769  0.00  0.00    +0.157 C 
ATOM     13  N   LIG    1        5.372  -1.297  -0.240  0.00  0.00    -0.303 N 
ATOM     14  H   LIG    1        5.326  -2.302  -0.351  0.00  0.00    +0.150 HD
ATOM     15  C   LIG    1        5.149   1.687   2.011  0.00  0.00    +0.110 C 
ATOM     16  C   LIG    1        6.580  -0.782   0.181  0.00  0.00    +0.234 C 
ATOM     17  O   LIG    1        7.504  -1.540   0.462  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        0.718  -1.783  -0.012  0.00  0.00    +0.122 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -0.360  -1.016  -0.656  0.00  0.00    -0.296 NA
ATOM     20  C   LIG    1       -0.816   0.119   0.176  0.00  0.00    +0.100 C 
ATOM     21  C   LIG    1       -2.276   0.543  -0.107  0.00  0.00    +0.100 C 
ATOM     22  N   LIG    1       -3.223  -0.528   0.235  0.00  0.00    -0.290 NA
ATOM     23  C   LIG    1       -2.695  -1.869  -0.064  0.00  0.00    +0.100 C 
ATOM     24  C   LIG    1       -1.493  -1.884  -1.038  0.00  0.00    +0.100 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -4.621  -0.306  -0.197  0.00  0.00    +0.129 C 
ATOM     26  C   LIG    1       -5.317   0.928   0.504  0.00  0.00    +0.258 C 
ATOM     27  F   LIG    1       -5.557   0.614   1.812  0.00  0.00    -0.226 F 
ATOM     28  N   LIG    1       -6.587   1.373  -0.098  0.00  0.00    -0.271 NA
ATOM     29  C   LIG    1       -7.650   0.390   0.092  0.00  0.00    +0.108 C 
ATOM     30  C   LIG    1       -6.382   1.693  -1.514  0.00  0.00    +0.114 C 
ATOM     31  C   LIG    1       -5.564   0.693  -2.284  0.00  0.00    -0.014 C 
ATOM     32  C   LIG    1       -4.780  -0.230  -1.702  0.00  0.00    -0.007 C 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   9  18
TORSDOF 3