REMARK  Name = BDB062208
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.252  -3.197   2.352  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        2.141  -2.269   1.577  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        3.204  -1.427   0.965  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        4.498  -1.598   1.262  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        2.627  -0.507   0.116  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        1.347  -0.728   0.206  0.00  0.00    +0.192 C 
ATOM      7  N   LIG    1        1.013  -1.742   1.041  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1        0.091  -2.112   1.190  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        5.631  -0.824   0.730  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        5.673  -0.360  -0.593  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        6.795   0.325  -1.012  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        6.993   0.842  -2.255  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        8.303   1.425  -2.101  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        8.864   1.238  -0.785  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        7.863   0.549  -0.177  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        7.869   0.099   1.124  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        6.743  -0.599   1.575  0.00  0.00    +0.012 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1        0.420  -0.039  -0.512  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1        0.827   0.624  -1.164  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -0.910   0.262  -0.176  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1       -1.424   0.178   1.116  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -2.777   0.451   1.374  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1       -3.682   0.798   0.359  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1       -3.144   0.898  -0.930  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1       -1.792   0.628  -1.196  0.00  0.00    +0.025 A 
BRANCH  23  26
ATOM     26  N   LIG    1       -5.015   1.072   0.657  0.00  0.00    -0.330 N 
ATOM     27  C   LIG    1       -5.733   0.147   1.553  0.00  0.00    +0.105 C 
ATOM     28  C   LIG    1       -6.442  -0.931   0.731  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1       -7.372  -0.308  -0.310  0.00  0.00    +0.003 C 
ATOM     30  C   LIG    1       -6.628   0.708  -1.177  0.00  0.00    +0.019 C 
ATOM     31  C   LIG    1       -5.893   1.737  -0.317  0.00  0.00    +0.105 C 
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4