REMARK  Name = BDB003936
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.897  -1.438   0.090  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.760  -0.968   0.068  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.802  -1.498   0.893  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -4.291  -2.136   1.514  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -2.891  -0.772   1.621  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -2.934  -0.811   2.850  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -1.864   0.062   0.863  0.00  0.00    +0.064 C 
ATOM      8  C   LIG    1       -1.164  -0.795  -0.213  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1        0.206  -0.310  -0.282  0.00  0.00    -0.296 N 
ATOM     10  C   LIG    1        0.964  -0.499  -1.427  0.00  0.00    +0.250 C 
ATOM     11  O   LIG    1        0.512  -1.072  -2.416  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1        0.505   0.586   0.822  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -0.655   0.382   1.783  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -2.441   1.376   0.289  0.00  0.00    +0.018 C 
ATOM     15  C   LIG    1       -3.930   1.393  -0.046  0.00  0.00    +0.010 C 
ATOM     16  C   LIG    1       -4.402   0.187  -0.833  0.00  0.00    +0.096 C 
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1        2.302   0.048  -1.437  0.00  0.00    +0.082 A 
ATOM     18  C   LIG    1        3.381  -0.292  -0.644  0.00  0.00    +0.079 A 
ATOM     19  N   LIG    1        4.456   0.501  -1.060  0.00  0.00    -0.239 N 
ATOM     20  C   LIG    1        5.710   0.425  -0.451  0.00  0.00    +0.113 A 
ATOM     21  C   LIG    1        5.921  -0.438   0.556  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        4.829  -1.294   0.984  0.00  0.00    +0.004 A 
ATOM     23  N   LIG    1        4.098   1.308  -2.092  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1        3.614  -1.229   0.407  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        2.825   0.996  -2.336  0.00  0.00    +0.148 A 
ENDBRANCH  10  17
TORSDOF 1