REMARK  Name = BDB062201
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.557   2.572  -2.543  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.722   1.706  -1.709  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        0.279   0.813  -1.071  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.589   0.924  -1.327  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -0.367  -0.067  -0.231  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -1.628   0.259  -0.298  0.00  0.00    +0.193 C 
ATOM      7  N   LIG    1       -1.882   1.292  -1.141  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -2.777   1.632  -1.441  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        2.672   0.111  -0.752  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        3.920   0.719  -0.541  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        4.947  -0.052  -0.035  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        6.208   0.383   0.234  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        6.813  -0.830   0.728  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        5.915  -1.958   0.737  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        4.781  -1.385   0.252  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        3.579  -2.023   0.045  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        2.520  -1.265  -0.467  0.00  0.00    +0.012 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -2.586  -0.415   0.382  0.00  0.00    -0.272 N 
ATOM     19  H   LIG    1       -2.333  -1.350   0.678  0.00  0.00    +0.156 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.937  -0.181   0.589  0.00  0.00    +0.125 A 
ATOM     21  N   LIG    1       -4.660  -1.273   0.920  0.00  0.00    -0.240 NA
ATOM     22  C   LIG    1       -5.988  -1.128   1.131  0.00  0.00    +0.113 A 
ATOM     23  C   LIG    1       -6.652   0.080   1.041  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -5.904   1.204   0.728  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.533   1.074   0.504  0.00  0.00    +0.044 A 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3