REMARK  Name = BDB056493
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.439   1.044  -1.520  0.00  0.00    -0.291 NA
ATOM      2  C   LIG    1       -0.792   1.883  -0.489  0.00  0.00    +0.104 C 
ATOM      3  C   LIG    1       -0.000   1.118   0.591  0.00  0.00    +0.123 C 
ATOM      4  N   LIG    1        0.885   0.108   0.005  0.00  0.00    -0.299 N 
ATOM      5  C   LIG    1        2.151  -0.086   0.538  0.00  0.00    +0.222 C 
ATOM      6  O   LIG    1        2.567   0.569   1.493  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1        0.321  -0.674  -1.099  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1       -1.175  -0.391  -1.342  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -2.866   1.355  -1.717  0.00  0.00    +0.180 C 
BRANCH   9  11
ATOM     10  O   LIG    1       -3.396   0.944   0.624  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1       -3.785   0.963  -0.540  0.00  0.00    +0.231 C 
ATOM     12  N   LIG    1       -5.074   0.667  -0.967  0.00  0.00    -0.284 N 
ATOM     13  H   LIG    1       -5.257   0.755  -1.959  0.00  0.00    +0.155 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -6.172   0.265  -0.177  0.00  0.00    +0.036 A 
ATOM     15  C   LIG    1       -7.383   0.035  -0.839  0.00  0.00    +0.061 A 
ATOM     16  C   LIG    1       -8.507  -0.366  -0.120  0.00  0.00    +0.125 A 
ATOM     17  F   LIG    1       -9.658  -0.581  -0.771  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1       -8.454  -0.545   1.254  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1       -7.254  -0.320   1.922  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -6.118   0.084   1.209  0.00  0.00    +0.023 A 
ENDBRANCH  12  14
ENDBRANCH   9  11
ENDBRANCH   1   9
BRANCH   5  21
ATOM     21  C   LIG    1        3.021  -1.119  -0.150  0.00  0.00    +0.153 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.396  -1.294   0.466  0.00  0.00    +0.078 A 
ATOM     23  C   LIG    1        5.428  -0.237   0.297  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1        6.674  -0.469   0.876  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1        7.703   0.473   0.755  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1        7.482   1.654   0.049  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        6.238   1.892  -0.533  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.902  -1.722   1.612  0.00  0.00    +0.272 A 
ATOM     29  O   LIG    1        7.982  -1.968   2.139  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1        5.844  -2.596   1.662  0.00  0.00    -0.242 N 
ATOM     31  H   LIG    1        5.981  -3.462   2.174  0.00  0.00    +0.192 HD
ATOM     32  C   LIG    1        5.211   0.950  -0.413  0.00  0.00    +0.010 A 
ATOM     33  N   LIG    1        4.618  -2.404   1.107  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 5