REMARK  Name = BDB031309
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.379  -0.165   1.744  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -0.457  -0.084   0.522  0.00  0.00    +0.311 C 
ATOM      3  N   LIG    1       -1.662  -0.052  -0.173  0.00  0.00    -0.255 N 
ATOM      4  C   LIG    1       -2.942  -0.169   0.412  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -3.934  -0.037  -0.561  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -5.282  -0.119  -0.239  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -5.632  -0.342   1.092  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -4.641  -0.475   2.074  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -3.348   0.220  -1.909  0.00  0.00    +0.056 C 
ATOM     10  C   LIG    1       -3.286  -0.388   1.736  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -1.846   0.123  -1.627  0.00  0.00    +0.120 C 
ATOM     12  N   LIG    1        0.660  -0.011  -0.295  0.00  0.00    -0.268 N 
ATOM     13  H   LIG    1        0.504  -0.129  -1.281  0.00  0.00    +0.156 HD
ENDROOT
BRANCH  12  14
ATOM     14  C   LIG    1        2.012   0.068   0.113  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1        2.986   0.004  -0.895  0.00  0.00    +0.054 A 
ATOM     16  C   LIG    1        4.296   0.090  -0.493  0.00  0.00    +0.088 A 
ATOM     17  C   LIG    1        4.622   0.239   0.849  0.00  0.00    +0.158 A 
ATOM     18  N   LIG    1        6.002   0.297   0.940  0.00  0.00    -0.291 N 
ATOM     19  H   LIG    1        6.519   0.403   1.796  0.00  0.00    +0.172 HD
ATOM     20  C   LIG    1        6.549   0.186  -0.340  0.00  0.00    +0.326 A 
ATOM     21  O   LIG    1        7.730   0.198  -0.636  0.00  0.00    -0.247 OA
ATOM     22  N   LIG    1        3.748   0.312   1.849  0.00  0.00    -0.234 NA
ATOM     23  N   LIG    1        5.473   0.057  -1.232  0.00  0.00    -0.305 N 
ATOM     24  H   LIG    1        5.582  -0.042  -2.228  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1        2.445   0.224   1.449  0.00  0.00    +0.136 A 
ENDBRANCH  12  14
TORSDOF 1