REMARK  Name = BDB057904
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.193  -0.298   0.652  0.00  0.00    +0.131 A 
ATOM      2  N   LIG    1        3.236  -1.319   1.568  0.00  0.00    -0.128 NA
ATOM      3  N   LIG    1        2.035  -1.879   1.619  0.00  0.00    -0.065 NA
ATOM      4  N   LIG    1        1.245  -1.225   0.746  0.00  0.00    -0.248 N 
ATOM      5  C   LIG    1        1.925  -0.226   0.117  0.00  0.00    +0.140 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -0.148  -1.618   0.590  0.00  0.00    +0.112 C 
ATOM      7  C   LIG    1       -1.088  -0.553   1.171  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -2.500  -0.712   0.625  0.00  0.00    +0.110 C 
ATOM      9  N   LIG    1       -2.528  -0.615  -0.836  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1       -3.565  -0.017  -1.557  0.00  0.00    +0.247 C 
ATOM     11  O   LIG    1       -3.453   0.330  -2.730  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -1.300  -0.928  -1.562  0.00  0.00    +0.110 C 
ATOM     13  C   LIG    1       -0.489  -2.006  -0.859  0.00  0.00    +0.046 C 
BRANCH  10  14
ATOM     14  C   LIG    1       -4.866   0.212  -0.888  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -5.430   1.491  -0.933  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -6.662   1.726  -0.323  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -7.335   0.682   0.314  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -6.785  -0.601   0.336  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -5.552  -0.841  -0.272  0.00  0.00    +0.013 A 
ENDBRANCH  10  14
ENDBRANCH   4   6
BRANCH   1  22
ATOM     20  C   LIG    1        6.585   1.238   0.608  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        5.530   0.407   0.982  0.00  0.00    +0.045 A 
ATOM     22  C   LIG    1        4.320   0.550   0.316  0.00  0.00    +0.093 A 
ATOM     23  N   LIG    1        4.128   1.466  -0.668  0.00  0.00    -0.253 NA
ATOM     24  C   LIG    1        5.162   2.273  -0.987  0.00  0.00    +0.112 A 
ATOM     25  C   LIG    1        6.400   2.202  -0.382  0.00  0.00    +0.035 A 
BRANCH  20  27
ATOM     26  O   LIG    1        8.585   2.147   1.492  0.00  0.00    -0.245 OA
ATOM     27  C   LIG    1        7.905   1.161   1.268  0.00  0.00    +0.337 C 
BRANCH  27  28
ATOM     28  O   LIG    1        8.298  -0.097   1.551  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1        7.743  -0.809   1.181  0.00  0.00    +0.295 HD
ENDBRANCH  27  28
ENDBRANCH  20  27
ENDBRANCH   1  22
TORSDOF 5