REMARK  Name = BDB031292
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.117   0.226   0.483  0.00  0.00    -0.297 N 
ATOM      2  C   LIG    1       -1.261  -0.326   1.077  0.00  0.00    +0.247 C 
ATOM      3  O   LIG    1       -1.291  -0.804   2.208  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -0.102   0.706  -0.898  0.00  0.00    +0.132 C 
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.522  -0.348   0.315  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -3.544   0.534   0.688  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -4.702   0.456  -0.045  0.00  0.00    +0.068 A 
ATOM      8  C   LIG    1       -4.865  -0.455  -1.091  0.00  0.00    +0.067 A 
ATOM      9  N   LIG    1       -6.140  -0.277  -1.616  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1       -6.569  -0.786  -2.372  0.00  0.00    +0.170 HD
ATOM     11  C   LIG    1       -6.786   0.742  -0.900  0.00  0.00    +0.325 A 
ATOM     12  O   LIG    1       -7.915   1.158  -1.087  0.00  0.00    -0.247 OA
ATOM     13  C   LIG    1       -3.881  -1.343  -1.460  0.00  0.00    +0.028 A 
ATOM     14  N   LIG    1       -5.878   1.189   0.070  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -6.085   1.914   0.737  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -2.686  -1.288  -0.733  0.00  0.00    +0.015 A 
ENDBRANCH   2   5
BRANCH   1  22
ATOM     17  C   LIG    1        6.048   0.595  -0.705  0.00  0.00    +0.109 C 
ATOM     18  C   LIG    1        5.346  -0.505   0.052  0.00  0.00    +0.212 C 
ATOM     19  N   LIG    1        4.016  -0.291   0.391  0.00  0.00    -0.302 N 
ATOM     20  C   LIG    1        3.290   0.950   0.123  0.00  0.00    +0.109 C 
ATOM     21  C   LIG    1        2.151   1.180   1.110  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1        1.171  -0.005   1.176  0.00  0.00    +0.079 C 
ATOM     23  C   LIG    1        1.805  -1.331   0.726  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1        3.289  -1.369   1.060  0.00  0.00    +0.109 C 
ATOM     25  O   LIG    1        5.950  -1.537   0.347  0.00  0.00    -0.276 OA
ENDBRANCH   1  22
TORSDOF 2