REMARK  Name = BDB026411
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.612  -1.189  -1.431  0.00  0.00    -0.280 N 
ATOM      2  C   LIG    1        0.761  -0.089  -1.533  0.00  0.00    +0.305 C 
ATOM      3  O   LIG    1        0.675   0.669  -2.485  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1        0.009  -0.032  -0.351  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1        0.217  -1.238   0.421  0.00  0.00    +0.128 C 
ATOM      6  C   LIG    1        1.535  -1.778  -0.116  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        2.691  -1.456  -2.359  0.00  0.00    +0.144 C 
BRANCH   7  11
ATOM      8  C   LIG    1        6.556  -0.042  -0.870  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        5.537   0.841  -1.267  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1        4.297   0.391  -1.745  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        4.028  -0.973  -1.855  0.00  0.00    -0.030 A 
ATOM     12  C   LIG    1        5.027  -1.873  -1.484  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1        6.264  -1.411  -1.008  0.00  0.00    +0.023 A 
BRANCH   8  15
ATOM     14  C   LIG    1        8.661  -0.520   0.320  0.00  0.00    +0.129 C 
ATOM     15  N   LIG    1        7.799   0.410  -0.406  0.00  0.00    -0.336 N 
ATOM     16  C   LIG    1        7.951   1.820  -0.052  0.00  0.00    +0.129 C 
ENDBRANCH   8  15
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  C   LIG    1       -1.206   0.771  -0.262  0.00  0.00    +0.142 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.623   1.141   1.173  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -0.591   1.929   1.788  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -0.851   2.095   2.709  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -2.941   1.952   1.183  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.118   1.237   0.662  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -4.541   0.149   1.566  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -5.858  -0.494   1.186  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -6.766   0.161   0.337  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -7.989  -0.445   0.022  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -8.323  -1.684   0.569  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -7.436  -2.328   1.427  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.392   1.481  -0.284  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -6.211  -1.736   1.737  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -5.239   2.171   0.457  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 8