REMARK  Name = BDB001469
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.571  -0.970   0.962  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1       -2.728  -0.198   0.115  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -2.998   0.866  -0.895  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -1.869   0.938  -1.956  0.00  0.00    +0.043 C 
ATOM      5  C   LIG    1       -0.484   0.700  -1.405  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -0.267  -0.103  -0.297  0.00  0.00    +0.097 A 
ATOM      7  N   LIG    1        0.939  -0.403   0.207  0.00  0.00    -0.212 NA
ATOM      8  C   LIG    1        1.999   0.118  -0.433  0.00  0.00    +0.220 A 
ATOM      9  N   LIG    1        1.893   0.894  -1.526  0.00  0.00    -0.222 NA
ATOM     10  C   LIG    1        0.661   1.164  -1.996  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1       -1.439  -0.623   0.381  0.00  0.00    +0.091 A 
ATOM     12  N   LIG    1       -1.555  -1.601   1.322  0.00  0.00    -0.264 N 
ATOM     13  C   LIG    1       -0.502  -2.392   1.913  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1       -2.833  -1.829   1.690  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1       -6.962   0.594   1.273  0.00  0.00    +0.128 C 
ATOM     16  N   LIG    1       -5.569   0.366   0.993  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1       -4.926   1.134   1.127  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -5.039  -0.912   1.100  0.00  0.00    +0.264 C 
ATOM     19  O   LIG    1       -5.741  -1.897   1.316  0.00  0.00    -0.268 OA
ENDBRANCH   1  18
BRANCH   8  20
ATOM     20  N   LIG    1        3.232  -0.208   0.123  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1        3.084  -0.785   0.937  0.00  0.00    +0.155 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.559   0.098  -0.197  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        5.580  -0.413   0.623  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        6.928  -0.147   0.362  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        7.282   0.638  -0.730  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.288   1.153  -1.555  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.940   0.884  -1.289  0.00  0.00    +0.023 A 
ENDBRANCH  20  22
ENDBRANCH   8  20
TORSDOF 3