REMARK  Name = BDB009092
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.865   0.839  -1.335  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.057   1.292  -0.378  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.336   1.743  -0.751  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.667   1.774  -2.110  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.756   1.327  -3.066  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.502   0.859  -2.680  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        3.139  -0.169  -1.605  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        2.122   0.404  -0.864  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        2.258   0.460   0.136  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        3.109  -0.479  -2.789  0.00  0.00    -0.270 OA
BRANCH   7  15
ATOM     11  C   LIG    1        6.736  -1.075   0.568  0.00  0.00    +0.155 A 
ATOM     12  C   LIG    1        6.248  -1.927  -0.430  0.00  0.00    +0.165 A 
ATOM     13  F   LIG    1        6.903  -3.060  -0.725  0.00  0.00    -0.202 F 
ATOM     14  C   LIG    1        5.085  -1.632  -1.136  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1        4.378  -0.467  -0.836  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1        4.861   0.406   0.149  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1        6.035   0.100   0.850  0.00  0.00    +0.049 A 
BRANCH  11  19
ATOM     18  C   LIG    1        8.445  -0.618   2.165  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        7.886  -1.483   1.186  0.00  0.00    -0.492 OA
ENDBRANCH  11  19
ENDBRANCH   7  15
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -2.300   2.238   0.304  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.739   1.770   0.106  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -4.137   0.394   0.541  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -3.131  -0.548   1.142  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -3.633  -1.992   1.244  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.074  -2.043   1.734  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -5.999  -1.268   0.793  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -5.426   0.056   0.369  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -6.371   1.014  -0.259  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -7.550   0.732  -0.446  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -5.845   2.226  -0.614  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -6.475   2.896  -1.042  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -4.557   2.622  -0.437  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5