REMARK  Name = BDB059671
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.476   0.819   0.333  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -2.920   0.611  -0.065  0.00  0.00    +0.279 A 
ATOM      3  O   LIG    1       -3.826   1.398   0.175  0.00  0.00    -0.265 OA
ATOM      4  N   LIG    1       -3.178  -0.587  -0.751  0.00  0.00    -0.179 N 
ATOM      5  C   LIG    1       -2.226  -1.538  -1.054  0.00  0.00    +0.156 A 
ATOM      6  C   LIG    1       -2.877  -2.547  -1.719  0.00  0.00    +0.114 A 
ATOM      7  C   LIG    1       -4.219  -2.130  -1.777  0.00  0.00    +0.156 A 
ATOM      8  N   LIG    1       -0.954  -1.307  -0.666  0.00  0.00    -0.338 N 
ATOM      9  H   LIG    1       -0.198  -1.972  -0.844  0.00  0.00    +0.167 HD
ATOM     10  N   LIG    1       -4.416  -0.943  -1.195  0.00  0.00    -0.169 NA
ATOM     11  C   LIG    1       -0.578  -0.156   0.023  0.00  0.00    +0.060 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1        0.807  -0.073   0.375  0.00  0.00    +0.036 A 
ATOM     13  C   LIG    1        1.862  -0.008  -0.508  0.00  0.00    +0.118 A 
ATOM     14  N   LIG    1        2.988   0.027   0.262  0.00  0.00    -0.270 N 
ATOM     15  N   LIG    1        2.738  -0.024   1.584  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        1.405  -0.092   1.652  0.00  0.00    +0.144 A 
BRANCH  14  17
ATOM     17  C   LIG    1        4.363   0.076  -0.199  0.00  0.00    +0.158 C 
BRANCH  17  18
ATOM     18  C   LIG    1        5.084  -1.252  -0.011  0.00  0.00    +0.141 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.535  -2.273  -0.910  0.00  0.00    +0.064 C 
ATOM     20  N   LIG    1        4.088  -3.054  -1.642  0.00  0.00    -0.197 NA
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH  11  12
BRANCH   1  22
ATOM     21  C   LIG    1       -1.801   2.228   2.418  0.00  0.00    +0.012 C 
ATOM     22  C   LIG    1       -1.146   2.130   1.038  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1       -1.462   3.361   0.181  0.00  0.00    +0.012 C 
ENDBRANCH   1  22
BRANCH   6  24
ATOM     24  C   LIG    1       -2.319  -3.749  -2.232  0.00  0.00    +0.104 C 
ATOM     25  N   LIG    1       -1.862  -4.730  -2.650  0.00  0.00    -0.191 NA
ENDBRANCH   6  24
TORSDOF 6