REMARK  Name = BDB000957
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.435  -0.364   0.052  0.00  0.00    +0.111 A 
ATOM      2  N   LIG    1       -2.518   0.481   0.046  0.00  0.00    -0.341 N 
ATOM      3  H   LIG    1       -2.493   1.479  -0.110  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -3.652  -0.265   0.250  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -3.189  -1.572   0.329  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -4.107  -2.622   0.485  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -5.475  -2.324   0.538  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -5.920  -1.003   0.458  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -5.012   0.059   0.333  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1       -1.821  -1.612   0.230  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        3.095   0.167  -0.143  0.00  0.00    -0.300 NA
ATOM     12  C   LIG    1        2.279   0.161   1.084  0.00  0.00    +0.085 C 
ATOM     13  C   LIG    1        0.882  -0.460   0.942  0.00  0.00    +0.026 C 
ATOM     14  C   LIG    1       -0.026   0.131  -0.147  0.00  0.00    +0.056 C 
ATOM     15  C   LIG    1        0.457  -0.265  -1.550  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1        1.596   0.591  -2.100  0.00  0.00    +0.016 C 
ATOM     17  C   LIG    1        2.571   1.178  -1.083  0.00  0.00    +0.084 C 
BRANCH  11  19
ATOM     18  C   LIG    1        5.344  -0.088  -1.132  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1        4.548   0.388   0.099  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1        5.136  -0.344   1.318  0.00  0.00    +0.024 C 
ENDBRANCH  11  19
ENDBRANCH   1  14
BRANCH   9  21
ATOM     21  C   LIG    1       -5.504   1.449   0.277  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1       -6.581   1.738  -0.225  0.00  0.00    -0.270 OA
ATOM     23  N   LIG    1       -4.717   2.401   0.872  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -5.179   3.297   0.978  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -4.132   2.119   1.649  0.00  0.00    +0.145 HD
ENDBRANCH   9  21
TORSDOF 3