REMARK  Name = BDB054469
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.456   0.295   0.606  0.00  0.00    -0.282 N 
ATOM      2  H   LIG    1        0.761   0.468  -0.344  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.601   0.001   1.354  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1        2.745   0.025   0.642  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1        3.834  -0.260   1.375  0.00  0.00    +0.164 A 
ATOM      6  C   LIG    1        3.861  -0.558   2.723  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1        5.218  -0.777   3.017  0.00  0.00    +0.146 A 
ATOM      8  N   LIG    1        6.006  -0.633   1.946  0.00  0.00    -0.177 NA
ATOM      9  C   LIG    1        2.642  -0.562   3.375  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1        5.138  -0.315   0.953  0.00  0.00    -0.243 N 
ATOM     11  N   LIG    1        1.519  -0.281   2.674  0.00  0.00    -0.222 NA
BRANCH  10  12
ATOM     12  C   LIG    1        5.612  -0.072  -0.390  0.00  0.00    +0.110 C 
ATOM     13  C   LIG    1        6.611   1.099  -0.508  0.00  0.00    +0.030 C 
ATOM     14  C   LIG    1        7.442   0.781  -1.723  0.00  0.00    -0.006 C 
ATOM     15  C   LIG    1        7.274  -0.668  -2.043  0.00  0.00    -0.006 C 
ATOM     16  C   LIG    1        6.826   0.373  -3.037  0.00  0.00    +0.007 C 
ATOM     17  C   LIG    1        6.337  -1.273  -1.033  0.00  0.00    +0.030 C 
ENDBRANCH  10  12
ENDBRANCH   1   3
BRANCH   1  22
ATOM     18  C   LIG    1       -3.731   0.419   3.113  0.00  0.00    +0.149 C 
ATOM     19  N   LIG    1       -2.778   0.451   2.025  0.00  0.00    -0.344 N 
ATOM     20  C   LIG    1       -3.088   0.687   0.700  0.00  0.00    +0.106 A 
ATOM     21  C   LIG    1       -1.878   0.697   0.018  0.00  0.00    +0.055 A 
ATOM     22  C   LIG    1       -0.846   0.389   0.934  0.00  0.00    +0.052 A 
ATOM     23  C   LIG    1       -1.432   0.232   2.164  0.00  0.00    +0.109 A 
BRANCH  20  24
ATOM     24  C   LIG    1       -4.427   0.964   0.218  0.00  0.00    +0.263 C 
ATOM     25  N   LIG    1       -4.922   0.178  -0.812  0.00  0.00    -0.291 N 
ATOM     26  C   LIG    1       -6.262   0.385  -1.384  0.00  0.00    +0.102 C 
ATOM     27  C   LIG    1       -6.456  -0.821  -2.320  0.00  0.00    +0.026 C 
ATOM     28  C   LIG    1       -5.040  -1.181  -2.732  0.00  0.00    +0.021 C 
ATOM     29  C   LIG    1       -4.252  -0.945  -1.454  0.00  0.00    +0.108 C 
ATOM     30  O   LIG    1       -5.117   1.832   0.747  0.00  0.00    -0.268 OA
BRANCH  26  31
ATOM     31  C   LIG    1       -7.415   0.493  -0.372  0.00  0.00    +0.178 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -8.677   0.405  -1.034  0.00  0.00    -0.393 OA
ATOM     33  H   LIG    1       -9.356   0.568  -0.357  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  26  31
ENDBRANCH  20  24
ENDBRANCH   1  22
TORSDOF 6