REMARK  Name = BDB042450
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.922   1.858   1.798  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.330   0.782   1.892  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        0.998   0.639   1.497  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        1.871  -0.452   1.926  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1        2.824  -0.879   0.807  0.00  0.00    +0.056 C 
ATOM      6  C   LIG    1        3.472   0.302   0.133  0.00  0.00    -0.023 C 
ATOM      7  C   LIG    1        2.927   1.528   0.269  0.00  0.00    -0.003 C 
ATOM      8  C   LIG    1        1.670   1.844   1.021  0.00  0.00    +0.135 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        4.711   0.095  -0.655  0.00  0.00    +0.067 A 
ATOM     10  N   LIG    1        5.485   1.194  -0.852  0.00  0.00    -0.252 NA
ATOM     11  C   LIG    1        6.631   1.040  -1.559  0.00  0.00    +0.149 A 
ATOM     12  C   LIG    1        7.048  -0.167  -2.083  0.00  0.00    +0.141 A 
ATOM     13  F   LIG    1        8.191  -0.258  -2.774  0.00  0.00    -0.204 F 
ATOM     14  C   LIG    1        6.259  -1.286  -1.883  0.00  0.00    +0.042 A 
ATOM     15  C   LIG    1        5.073  -1.156  -1.158  0.00  0.00    +0.031 A 
ENDBRANCH   6   9
BRANCH   2  16
ATOM     16  C   LIG    1       -1.016  -0.452   2.460  0.00  0.00    +0.102 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.527  -0.272   2.630  0.00  0.00    +0.062 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.276  -0.387   1.324  0.00  0.00    +0.020 A 
ATOM     19  N   LIG    1       -3.488  -1.656   0.832  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1       -3.153  -2.463   1.343  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1       -4.153  -1.949  -0.339  0.00  0.00    +0.257 A 
ATOM     22  O   LIG    1       -4.304  -3.103  -0.723  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1       -4.674  -0.793  -1.107  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1       -4.466   0.501  -0.604  0.00  0.00    -0.011 A 
ATOM     25  C   LIG    1       -4.949   1.601  -1.321  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1       -5.633   1.401  -2.524  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1       -5.830   0.109  -3.003  0.00  0.00    +0.124 A 
ATOM     28  F   LIG    1       -6.486  -0.069  -4.157  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -5.357  -0.996  -2.308  0.00  0.00    +0.052 A 
ATOM     30  C   LIG    1       -3.745   0.681   0.658  0.00  0.00    +0.030 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 4