REMARK  Name = BDB051748
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.412  -0.189  -0.406  0.00  0.00    +0.222 C 
ATOM      2  N   LIG    1       -2.123  -0.687  -0.385  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -1.857  -2.154  -0.723  0.00  0.00    +0.076 C 
ATOM      4  C   LIG    1       -2.265  -2.491  -2.163  0.00  0.00    +0.038 C 
ATOM      5  C   LIG    1       -2.503  -3.107   0.292  0.00  0.00    +0.038 C 
ATOM      6  C   LIG    1       -0.368  -2.169  -0.580  0.00  0.00    +0.092 A 
ATOM      7  N   LIG    1        0.554  -3.105  -0.780  0.00  0.00    -0.175 NA
ATOM      8  N   LIG    1        1.700  -2.446  -0.466  0.00  0.00    -0.263 N 
ATOM      9  H   LIG    1        2.594  -2.929  -0.523  0.00  0.00    +0.190 HD
ATOM     10  C   LIG    1        1.501  -1.130  -0.081  0.00  0.00    +0.126 A 
ATOM     11  C   LIG    1        0.149  -0.952  -0.154  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -0.903   0.040   0.057  0.00  0.00    +0.149 C 
ATOM     13  O   LIG    1       -4.359  -0.949  -0.638  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1       -3.212   2.115  -1.444  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1       -3.701   1.329  -0.218  0.00  0.00    +0.039 C 
ATOM     16  C   LIG    1       -5.240   1.514  -0.146  0.00  0.00    +0.020 C 
ATOM     17  C   LIG    1       -3.127   1.912   1.080  0.00  0.00    +0.020 C 
ENDBRANCH   1  15
BRANCH  10  18
ATOM     18  N   LIG    1        2.511  -0.261   0.282  0.00  0.00    -0.266 N 
ATOM     19  H   LIG    1        2.247   0.669   0.580  0.00  0.00    +0.157 HD
ATOM     20  C   LIG    1        3.834  -0.669   0.315  0.00  0.00    +0.249 C 
ATOM     21  O   LIG    1        4.223  -1.808   0.069  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1        4.827   0.366   0.709  0.00  0.00    +0.042 A 
ATOM     23  C   LIG    1        5.991  -0.049   1.368  0.00  0.00    +0.051 A 
ATOM     24  C   LIG    1        6.942   0.894   1.745  0.00  0.00    +0.127 A 
ATOM     25  F   LIG    1        8.048   0.494   2.384  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        6.764   2.242   1.471  0.00  0.00    +0.076 A 
ATOM     27  C   LIG    1        5.616   2.641   0.801  0.00  0.00    +0.127 A 
ATOM     28  F   LIG    1        5.436   3.937   0.516  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        4.645   1.721   0.411  0.00  0.00    +0.051 A 
ENDBRANCH  20  22
ENDBRANCH  10  18
TORSDOF 3