REMARK  Name = BDB061639
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.973   0.551  -2.607  0.00  0.00    -0.208 N 
ATOM      2  C   LIG    1        1.853   0.877  -1.567  0.00  0.00    +0.351 A 
ATOM      3  O   LIG    1        1.903   1.960  -1.002  0.00  0.00    -0.244 OA
ATOM      4  N   LIG    1        2.600  -0.271  -1.352  0.00  0.00    -0.250 N 
ATOM      5  C   LIG    1        2.104  -1.169  -2.234  0.00  0.00    +0.230 A 
ATOM      6  N   LIG    1        1.143  -0.753  -2.997  0.00  0.00    -0.157 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.638  -0.472  -0.408  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1        4.298  -1.706  -0.303  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        5.324  -1.902   0.631  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1        5.723  -0.877   1.487  0.00  0.00    +0.130 A 
ATOM     11  C   LIG    1        5.080   0.352   1.396  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        4.052   0.548   0.460  0.00  0.00    +0.030 A 
BRANCH  10  13
ATOM     13  O   LIG    1        6.732  -1.210   2.342  0.00  0.00    -0.406 OA
BRANCH  13  14
ATOM     14  C   LIG    1        7.190  -0.217   3.244  0.00  0.00    +0.575 C 
ATOM     15  F   LIG    1        8.182  -0.742   3.998  0.00  0.00    -0.133 F 
ATOM     16  F   LIG    1        6.201   0.183   4.072  0.00  0.00    -0.133 F 
ATOM     17  F   LIG    1        7.686   0.850   2.582  0.00  0.00    -0.133 F 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1       -0.086   1.395  -3.107  0.00  0.00    +0.184 C 
BRANCH  18  22
ATOM     19  C   LIG    1       -3.713   0.812  -0.854  0.00  0.00    +0.122 A 
ATOM     20  C   LIG    1       -2.834   1.833  -0.501  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -1.656   2.020  -1.225  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1       -1.368   1.209  -2.333  0.00  0.00    -0.026 A 
ATOM     23  C   LIG    1       -2.278   0.204  -2.696  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1       -3.456   0.019  -1.969  0.00  0.00    +0.046 A 
BRANCH  19  25
ATOM     25  O   LIG    1       -4.883   0.674  -0.165  0.00  0.00    -0.475 OA
BRANCH  25  27
ATOM     26  C   LIG    1       -4.970  -1.725   0.363  0.00  0.00    +0.067 C 
ATOM     27  C   LIG    1       -4.884  -0.294   0.909  0.00  0.00    +0.200 C 
ATOM     28  C   LIG    1       -3.716  -0.162   1.897  0.00  0.00    +0.067 C 
BRANCH  27  29
ATOM     29  C   LIG    1       -6.175   0.007   1.687  0.00  0.00    +0.348 C 
ATOM     30  O   LIG    1       -7.069  -0.780   1.960  0.00  0.00    -0.247 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -6.271   1.289   2.107  0.00  0.00    -0.478 OA
ATOM     32  H   LIG    1       -7.147   1.330   2.542  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  27  29
ENDBRANCH  25  27
ENDBRANCH  19  25
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 9