REMARK  Name = BDB055948
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.753  -0.266   1.406  0.00  0.00    +0.080 C 
ATOM      2  C   LIG    1        0.184   0.938   1.605  0.00  0.00    +0.024 C 
ATOM      3  C   LIG    1        1.652   0.514   1.645  0.00  0.00    +0.027 C 
ATOM      4  C   LIG    1        2.043  -0.290   0.397  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        1.112  -1.498   0.211  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1       -0.354  -1.068   0.160  0.00  0.00    +0.024 C 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        3.440  -0.687   0.429  0.00  0.00    -0.289 N 
ATOM      8  C   LIG    1        4.433  -0.279  -0.478  0.00  0.00    +0.073 A 
ATOM      9  C   LIG    1        5.634  -0.878  -0.088  0.00  0.00    +0.068 A 
ATOM     10  C   LIG    1        6.820  -0.690  -0.762  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1        6.779   0.147  -1.885  0.00  0.00    +0.089 A 
ATOM     12  C   LIG    1        5.568   0.752  -2.278  0.00  0.00    +0.143 A 
ATOM     13  F   LIG    1        5.539   1.552  -3.354  0.00  0.00    -0.204 F 
ATOM     14  N   LIG    1        5.391  -1.645   1.042  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1        6.049  -2.200   1.567  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1        4.376   0.547  -1.578  0.00  0.00    +0.067 A 
ATOM     17  C   LIG    1        4.034  -1.543   1.386  0.00  0.00    +0.328 A 
ATOM     18  O   LIG    1        3.506  -2.099   2.333  0.00  0.00    -0.247 OA
BRANCH  11  19
ATOM     19  C   LIG    1        7.972   0.390  -2.638  0.00  0.00    +0.102 C 
ATOM     20  N   LIG    1        8.956   0.566  -3.226  0.00  0.00    -0.191 NA
ENDBRANCH  11  19
ENDBRANCH   4   7
BRANCH   1  24
ATOM     21  C   LIG    1       -3.361   3.091   1.144  0.00  0.00    +0.058 C 
ATOM     22  C   LIG    1       -3.888   1.654   0.998  0.00  0.00    +0.132 C 
ATOM     23  C   LIG    1       -2.847   0.760   0.289  0.00  0.00    +0.153 C 
ATOM     24  N   LIG    1       -2.153   0.163   1.413  0.00  0.00    -0.253 N 
ATOM     25  C   LIG    1       -2.842   0.395   2.583  0.00  0.00    +0.404 C 
ATOM     26  O   LIG    1       -2.503   0.055   3.704  0.00  0.00    -0.226 OA
ATOM     27  O   LIG    1       -3.987   1.095   2.323  0.00  0.00    -0.442 OA
ATOM     28  C   LIG    1       -5.291   1.696   0.392  0.00  0.00    +0.058 C 
BRANCH  23  29
ATOM     29  C   LIG    1       -3.414  -0.282  -0.662  0.00  0.00    -0.023 A 
ATOM     30  C   LIG    1       -4.003  -1.472  -0.203  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -4.525  -2.403  -1.103  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.471  -2.157  -2.472  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.896  -0.980  -2.945  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -3.372  -0.047  -2.047  0.00  0.00    +0.005 A 
ENDBRANCH  23  29
ENDBRANCH   1  24
TORSDOF 4