REMARK  Name = BDB007869
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.394  -2.174   0.080  0.00  0.00    +0.145 C 
ATOM      2  C   LIG    1       -0.605  -1.947  -1.062  0.00  0.00    +0.233 C 
ATOM      3  O   LIG    1       -0.575  -2.474  -2.165  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -1.527  -0.981  -0.654  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -1.107  -0.340   0.567  0.00  0.00    +0.110 C 
ATOM      6  C   LIG    1       -0.213  -1.366   1.234  0.00  0.00    +0.047 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        4.421  -1.158  -0.911  0.00  0.00    +0.063 C 
ATOM      8  C   LIG    1        3.333  -0.196  -1.399  0.00  0.00    +0.027 C 
ATOM      9  C   LIG    1        1.995  -0.413  -0.675  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1        1.782  -1.798  -0.261  0.00  0.00    -0.291 NA
ATOM     11  C   LIG    1        2.417  -2.755  -1.165  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1        3.945  -2.613  -1.105  0.00  0.00    +0.027 C 
BRANCH   7  14
ATOM     13  O   LIG    1        4.681  -1.678   1.456  0.00  0.00    -0.292 OA
ATOM     14  C   LIG    1        4.824  -0.866   0.543  0.00  0.00    +0.166 C 
BRANCH  14  15
ATOM     15  C   LIG    1        5.437   0.455   0.887  0.00  0.00    +0.018 A 
ATOM     16  C   LIG    1        5.337   0.903   2.214  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        5.893   2.128   2.590  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        6.553   2.898   1.641  0.00  0.00    +0.123 A 
ATOM     19  F   LIG    1        7.086   4.073   1.998  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1        6.672   2.465   0.325  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1        6.117   1.239  -0.055  0.00  0.00    +0.014 A 
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   4  22
ATOM     22  C   LIG    1       -2.430  -0.367  -1.616  0.00  0.00    +0.182 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.630   0.302  -0.961  0.00  0.00    +0.127 A 
ATOM     24  N   LIG    1       -3.471   1.624  -0.633  0.00  0.00    -0.309 N 
ATOM     25  H   LIG    1       -2.624   2.125  -0.855  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1       -4.456   2.351  -0.034  0.00  0.00    +0.257 A 
ATOM     27  O   LIG    1       -4.322   3.541   0.224  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -5.687   1.606   0.270  0.00  0.00    +0.064 A 
ATOM     29  C   LIG    1       -6.802   2.325   0.957  0.00  0.00    +0.202 C 
ATOM     30  O   LIG    1       -7.802   1.422   1.456  0.00  0.00    -0.375 OA
ATOM     31  C   LIG    1       -8.170   0.443   0.481  0.00  0.00    +0.166 C 
ATOM     32  C   LIG    1       -6.987  -0.479   0.191  0.00  0.00    +0.084 C 
ATOM     33  C   LIG    1       -5.735   0.313  -0.085  0.00  0.00    +0.056 A 
ATOM     34  N   LIG    1       -4.712  -0.362  -0.708  0.00  0.00    -0.237 NA
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5