REMARK  Name = BDB042447
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.857  -1.250   0.009  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.229  -1.929   0.095  0.00  0.00    +0.054 C 
BRANCH   2  10
ATOM      3  C   LIG    1       -6.288   0.930   2.065  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -6.265   1.044   0.565  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -5.298   0.390  -0.229  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -5.344   0.546  -1.630  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1       -4.332  -0.139  -2.471  0.00  0.00    +0.257 A 
ATOM      8  N   LIG    1       -3.393  -0.894  -1.807  0.00  0.00    -0.326 N 
ATOM      9  H   LIG    1       -2.717  -1.355  -2.405  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -3.331  -1.050  -0.444  0.00  0.00    +0.020 A 
ATOM     11  O   LIG    1       -4.328  -0.038  -3.693  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1       -6.323   1.330  -2.244  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1       -7.264   1.964  -1.451  0.00  0.00    +0.124 A 
ATOM     14  F   LIG    1       -8.210   2.720  -2.024  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -4.237  -0.452   0.346  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1       -7.245   1.830  -0.066  0.00  0.00    +0.042 A 
ENDBRANCH   2  10
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        0.236  -2.161   0.587  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.606  -1.643   0.566  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1        1.778  -0.382   1.292  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1        3.274  -0.080   1.491  0.00  0.00    +0.051 C 
ATOM     21  C   LIG    1        4.072  -0.252   0.219  0.00  0.00    -0.042 C 
ATOM     22  C   LIG    1        3.545  -0.935  -0.815  0.00  0.00    -0.008 C 
ATOM     23  C   LIG    1        2.176  -1.562  -0.783  0.00  0.00    +0.112 C 
BRANCH  21  24
ATOM     24  C   LIG    1        5.425   0.336   0.154  0.00  0.00    -0.022 A 
ATOM     25  C   LIG    1        5.849   1.046  -0.980  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        7.126   1.616  -1.034  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1        7.999   1.486   0.049  0.00  0.00    +0.052 A 
ATOM     28  C   LIG    1        7.587   0.785   1.185  0.00  0.00    +0.019 A 
ATOM     29  C   LIG    1        6.308   0.218   1.236  0.00  0.00    +0.009 A 
BRANCH  27  30
ATOM     30  C   LIG    1        9.307   2.068  -0.005  0.00  0.00    +0.099 C 
ATOM     31  N   LIG    1       10.366   2.541  -0.047  0.00  0.00    -0.191 NA
ENDBRANCH  27  30
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6