REMARK  Name = BDB045652
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.099  -0.380  -0.151  0.00  0.00    +0.052 A 
ATOM      2  C   LIG    1        1.440   0.566   0.638  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        2.108   1.597   1.177  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.064   0.495   0.863  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -0.709  -0.534   0.303  0.00  0.00    -0.012 A 
ATOM      6  C   LIG    1       -0.043  -1.486  -0.487  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        1.339  -1.414  -0.711  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1        6.983   0.210   0.336  0.00  0.00    +0.067 A 
ATOM      9  C   LIG    1        5.674  -0.034  -0.121  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1        5.489  -0.361  -1.464  0.00  0.00    +0.070 A 
ATOM     11  N   LIG    1        4.135  -0.540  -1.590  0.00  0.00    -0.338 N 
ATOM     12  H   LIG    1        3.646  -0.778  -2.440  0.00  0.00    +0.167 HD
ATOM     13  C   LIG    1        3.540  -0.297  -0.373  0.00  0.00    +0.142 A 
ATOM     14  C   LIG    1        6.536  -0.452  -2.384  0.00  0.00    +0.066 A 
ATOM     15  C   LIG    1        7.819  -0.194  -1.897  0.00  0.00    +0.126 A 
ATOM     16  F   LIG    1        8.856  -0.268  -2.742  0.00  0.00    -0.205 F 
ATOM     17  N   LIG    1        4.457   0.021   0.519  0.00  0.00    -0.227 NA
ATOM     18  C   LIG    1        8.056   0.132  -0.567  0.00  0.00    +0.053 A 
BRANCH   8  22
ATOM     19  N   LIG    1        8.006   1.631   1.987  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1        8.131   2.342   1.280  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1        8.058   1.922   2.955  0.00  0.00    +0.145 HD
ATOM     22  C   LIG    1        7.237   0.522   1.751  0.00  0.00    +0.244 C 
ATOM     23  O   LIG    1        6.821  -0.173   2.665  0.00  0.00    -0.270 OA
ENDBRANCH   8  22
ENDBRANCH   1  13
BRANCH   5  24
ATOM     24  C   LIG    1       -2.163  -0.609   0.535  0.00  0.00    +0.018 A 
ATOM     25  C   LIG    1       -2.798  -1.800   0.911  0.00  0.00    +0.133 A 
ATOM     26  F   LIG    1       -2.084  -2.924   1.079  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1       -4.175  -1.866   1.131  0.00  0.00    +0.062 A 
ATOM     28  C   LIG    1       -4.981  -0.735   0.969  0.00  0.00    +0.036 A 
ATOM     29  C   LIG    1       -4.367   0.463   0.611  0.00  0.00    +0.024 A 
ATOM     30  C   LIG    1       -2.980   0.523   0.393  0.00  0.00    +0.013 A 
BRANCH  28  31
ATOM     31  N   LIG    1       -6.353  -0.903   1.220  0.00  0.00    -0.285 N 
ATOM     32  H   LIG    1       -6.631  -1.788   1.630  0.00  0.00    +0.155 HD
ATOM     33  C   LIG    1       -7.455  -0.111   1.027  0.00  0.00    +0.220 C 
ATOM     34  O   LIG    1       -8.543  -0.480   1.463  0.00  0.00    -0.275 OA
BRANCH  33  35
ATOM     35  C   LIG    1       -7.372   1.161   0.271  0.00  0.00    +0.075 C 
ATOM     36  C   LIG    1       -7.083   1.170  -1.214  0.00  0.00    +0.013 C 
ATOM     37  C   LIG    1       -8.461   1.493  -0.730  0.00  0.00    +0.013 C 
ENDBRANCH  33  35
ENDBRANCH  28  31
ENDBRANCH   5  24
TORSDOF 5