REMARK  Name = BDB042530
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.681  -1.834  -0.667  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.134  -0.779  -0.993  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -1.121  -0.423  -0.499  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.698   0.917  -0.619  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1       -3.223   0.880  -0.752  0.00  0.00    +0.054 C 
ATOM      6  C   LIG    1       -3.854  -0.091   0.209  0.00  0.00    -0.041 C 
ATOM      7  C   LIG    1       -3.114  -1.041   0.807  0.00  0.00    -0.004 C 
ATOM      8  C   LIG    1       -1.650  -1.267   0.568  0.00  0.00    +0.135 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -5.294   0.033   0.494  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1       -6.147  -1.059   0.324  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1       -7.493  -0.896   0.596  0.00  0.00    +0.214 A 
ATOM     12  F   LIG    1       -8.309  -1.946   0.426  0.00  0.00    -0.184 F 
ATOM     13  N   LIG    1       -8.045   0.258   1.020  0.00  0.00    -0.228 NA
ATOM     14  C   LIG    1       -7.205   1.300   1.181  0.00  0.00    +0.114 A 
ATOM     15  C   LIG    1       -5.842   1.239   0.932  0.00  0.00    +0.028 A 
ENDBRANCH   6   9
BRANCH   2  16
ATOM     16  C   LIG    1        0.781   0.175  -1.988  0.00  0.00    +0.102 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.170  -0.283  -2.445  0.00  0.00    +0.062 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.247   0.011  -1.427  0.00  0.00    +0.020 A 
ATOM     19  N   LIG    1        3.683   1.313  -1.335  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1        3.293   2.027  -1.938  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1        4.658   1.766  -0.469  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1        4.975   2.949  -0.456  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        5.272   0.749   0.417  0.00  0.00    +0.082 A 
ATOM     24  C   LIG    1        4.833  -0.581   0.317  0.00  0.00    -0.008 A 
ATOM     25  C   LIG    1        5.398  -1.559   1.147  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        6.392  -1.213   2.066  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        6.823   0.109   2.159  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        6.263   1.085   1.337  0.00  0.00    +0.136 A 
ATOM     29  F   LIG    1        6.708   2.343   1.463  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        3.790  -0.936  -0.648  0.00  0.00    +0.030 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 4