REMARK  Name = BDB003853
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.295  -0.670   0.589  0.00  0.00    +0.117 C 
ENDROOT
BRANCH   1   8
ATOM      2  O   LIG    1       -4.937   0.264   1.098  0.00  0.00    -0.275 OA
ATOM      3  C   LIG    1       -4.164  -0.572   0.641  0.00  0.00    +0.219 C 
ATOM      4  N   LIG    1       -3.330  -1.301   1.447  0.00  0.00    -0.256 N 
ATOM      5  H   LIG    1       -3.670  -1.292   2.404  0.00  0.00    +0.157 HD
ATOM      6  C   LIG    1       -1.988  -1.045   1.553  0.00  0.00    +0.224 C 
ATOM      7  O   LIG    1       -1.469  -1.161   2.665  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1       -1.218  -0.499   0.352  0.00  0.00    +0.092 C 
ATOM      9  C   LIG    1       -1.613  -1.175  -0.967  0.00  0.00    +0.015 C 
ATOM     10  C   LIG    1       -2.885  -0.571  -1.559  0.00  0.00    +0.010 C 
ATOM     11  C   LIG    1       -4.147  -0.964  -0.817  0.00  0.00    +0.096 C 
ENDBRANCH   1   8
BRANCH   1  12
ATOM     12  N   LIG    1        0.793   0.231   1.623  0.00  0.00    -0.311 N 
ATOM     13  H   LIG    1        0.416   0.043   2.551  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1        2.081   0.707   1.719  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        2.592   0.907   2.815  0.00  0.00    -0.270 OA
BRANCH  14  16
ATOM     16  C   LIG    1        2.845   1.002   0.486  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        4.183   0.604   0.411  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        4.929   0.891  -0.732  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.344   1.589  -1.790  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        3.016   2.010  -1.706  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        2.265   1.724  -0.565  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   1  12
TORSDOF 3