REMARK  Name = BDB006069
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.542  -1.814  -1.488  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        4.500  -1.645  -0.866  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1        3.959  -0.297  -0.642  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        2.778  -0.185   0.068  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1        2.175   1.052   0.335  0.00  0.00    +0.077 A 
ATOM      6  N   LIG    1        0.964   1.177   1.056  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1        0.408   0.072   1.482  0.00  0.00    +0.123 A 
ATOM      8  N   LIG    1        0.962  -1.170   1.255  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1        0.488  -1.994   1.601  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1        2.811   2.199  -0.143  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        4.010   2.104  -0.864  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        2.120  -1.397   0.565  0.00  0.00    +0.162 A 
ATOM     13  N   LIG    1        2.599  -2.589   0.365  0.00  0.00    -0.153 NA
ATOM     14  C   LIG    1        4.587   0.855  -1.115  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1        3.768  -2.690  -0.340  0.00  0.00    -0.241 N 
ATOM     16  H   LIG    1        4.130  -3.628  -0.486  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1       -0.910   0.151   2.255  0.00  0.00    +0.158 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.103   0.138   1.383  0.00  0.00    -0.294 NA
ATOM     19  C   LIG    1       -2.172   1.332   0.525  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1       -3.608   1.624   0.045  0.00  0.00    +0.096 C 
ATOM     21  N   LIG    1       -4.026   0.993  -1.205  0.00  0.00    -0.315 NA
ATOM     22  H   LIG    1       -3.672   1.527  -1.998  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -3.656  -0.407  -1.371  0.00  0.00    +0.082 C 
ATOM     24  C   LIG    1       -3.596  -1.264  -0.106  0.00  0.00    +0.030 C 
ATOM     25  C   LIG    1       -2.276  -1.121   0.659  0.00  0.00    +0.086 C 
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 2