REMARK  Name = BDB006053
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -8.086   1.482  -0.085  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -6.900   1.276   0.141  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -6.259   0.014  -0.253  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -4.917  -0.149   0.036  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -4.210  -1.312  -0.308  0.00  0.00    +0.077 A 
ATOM      6  N   LIG    1       -2.833  -1.489  -0.026  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1       -2.230  -0.504   0.584  0.00  0.00    +0.123 A 
ATOM      8  N   LIG    1       -2.879   0.651   0.960  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1       -2.305   1.379   1.371  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -4.911  -2.328  -0.960  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -6.274  -2.180  -1.257  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -4.194   0.928   0.721  0.00  0.00    +0.162 A 
ATOM     13  N   LIG    1       -4.761   2.047   1.064  0.00  0.00    -0.153 NA
ATOM     14  C   LIG    1       -6.951  -1.008  -0.905  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -6.090   2.199   0.769  0.00  0.00    -0.241 N 
ATOM     16  H   LIG    1       -6.516   3.077   1.050  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1       -0.747  -0.636   0.934  0.00  0.00    +0.158 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -0.107   0.699   0.910  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1        1.166   0.695   1.648  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1        2.295  -0.067   0.951  0.00  0.00    +0.019 C 
ATOM     21  C   LIG    1        2.531   0.464  -0.471  0.00  0.00    -0.004 C 
ATOM     22  C   LIG    1        1.204   0.482  -1.244  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1        0.101   1.201  -0.461  0.00  0.00    +0.085 C 
BRANCH  21  24
ATOM     24  C   LIG    1        3.577  -0.366  -1.239  0.00  0.00    +0.038 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.968  -0.275  -0.658  0.00  0.00    -0.047 A 
ATOM     26  C   LIG    1        5.522  -1.359   0.036  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        6.805  -1.269   0.580  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.546  -0.098   0.433  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.005   0.985  -0.258  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.723   0.897  -0.801  0.00  0.00    +0.003 A 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 4