REMARK  Name = BDB039580
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.701   0.715  -0.171  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -0.821  -0.478  -0.134  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.658  -0.045  -0.214  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        1.102   0.777   0.941  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.032   1.525   1.530  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -1.168   1.895   0.549  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -5.677  -0.295   0.528  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1       -5.273  -0.113  -0.759  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1       -3.969   0.223  -0.953  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1       -3.550   0.430  -2.381  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -3.042   0.388   0.096  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -3.513   0.184   1.400  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -4.843  -0.159   1.626  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       -9.248  -1.023  -0.470  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -7.829  -0.805  -0.448  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -7.330  -0.557  -1.300  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -7.118  -0.661   0.725  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -7.598  -0.802   1.843  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        2.204   1.677   0.567  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.468   0.936   0.178  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1        4.085   0.065   1.092  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1        5.249  -0.613   0.735  0.00  0.00    +0.050 A 
ATOM     23  N   LIG    1        5.852  -1.491   1.670  0.00  0.00    -0.319 N 
ATOM     24  H   LIG    1        5.440  -1.627   2.583  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1        7.011  -2.213   1.413  0.00  0.00    +0.295 A 
ATOM     26  C   LIG    1        7.542  -1.981   0.102  0.00  0.00    +0.232 A 
ATOM     27  C   LIG    1        7.022  -1.150  -0.858  0.00  0.00    +0.056 A 
ATOM     28  C   LIG    1        7.907  -1.284  -1.936  0.00  0.00    +0.166 A 
ATOM     29  N   LIG    1        8.903  -2.137  -1.662  0.00  0.00    -0.085 NA
ATOM     30  O   LIG    1        8.666  -2.580  -0.359  0.00  0.00    -0.349 OA
ATOM     31  O   LIG    1        7.486  -2.960   2.264  0.00  0.00    -0.264 OA
ATOM     32  C   LIG    1        5.817  -0.422  -0.547  0.00  0.00    +0.011 A 
ATOM     33  C   LIG    1        5.210   0.444  -1.456  0.00  0.00    +0.011 A 
ATOM     34  C   LIG    1        4.041   1.119  -1.092  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4