REMARK  Name = BDB020816
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.626  -2.502  -0.436  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -4.108  -1.718   0.355  0.00  0.00    +0.303 C 
ATOM      3  N   LIG    1       -2.734  -1.632   0.535  0.00  0.00    -0.282 N 
ATOM      4  C   LIG    1       -2.105  -1.164   1.773  0.00  0.00    +0.114 C 
ATOM      5  C   LIG    1       -0.797  -0.427   1.481  0.00  0.00    +0.054 C 
ATOM      6  C   LIG    1        0.058  -1.172   0.483  0.00  0.00    -0.036 C 
ATOM      7  C   LIG    1       -0.482  -2.138  -0.286  0.00  0.00    -0.004 C 
ATOM      8  C   LIG    1       -1.929  -2.538  -0.273  0.00  0.00    +0.137 C 
ATOM      9  N   LIG    1       -4.841  -0.854   1.124  0.00  0.00    -0.295 N 
ATOM     10  H   LIG    1       -4.387   0.028   1.301  0.00  0.00    +0.151 HD
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        1.473  -0.812   0.411  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1        2.356  -0.846   1.526  0.00  0.00    +0.172 A 
ATOM     13  N   LIG    1        3.662  -0.479   1.307  0.00  0.00    -0.253 N 
ATOM     14  C   LIG    1        4.289  -0.627   2.510  0.00  0.00    +0.232 A 
ATOM     15  N   LIG    1        3.428  -1.033   3.416  0.00  0.00    -0.137 NA
ATOM     16  C   LIG    1        4.150  -0.064   0.061  0.00  0.00    +0.203 A 
ATOM     17  N   LIG    1        3.335  -0.033  -0.960  0.00  0.00    -0.223 NA
ATOM     18  N   LIG    1        2.207  -1.174   2.795  0.00  0.00    -0.129 NA
ATOM     19  C   LIG    1        2.021  -0.406  -0.756  0.00  0.00    +0.126 A 
BRANCH  16  20
ATOM     20  N   LIG    1        5.473   0.297  -0.054  0.00  0.00    -0.307 N 
ATOM     21  H   LIG    1        5.964   0.619   0.774  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        5.975   0.943  -1.257  0.00  0.00    +0.178 C 
BRANCH  22  23
ATOM     23  C   LIG    1        7.425   1.278  -1.176  0.00  0.00    +0.122 A 
ATOM     24  O   LIG    1        7.839   1.918  -0.042  0.00  0.00    -0.466 OA
ATOM     25  C   LIG    1        9.174   2.128  -0.172  0.00  0.00    +0.195 A 
ATOM     26  C   LIG    1        9.627   1.626  -1.369  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1        8.497   1.076  -2.021  0.00  0.00    +0.046 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  16  20
ENDBRANCH   6  11
BRANCH   9  28
ATOM     28  C   LIG    1       -6.280  -0.776   0.989  0.00  0.00    +0.141 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -6.680   0.361   0.082  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -6.645   0.200  -1.310  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -6.988   1.257  -2.155  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -7.365   2.485  -1.617  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -7.397   2.659  -0.235  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -7.053   1.604   0.612  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 6