REMARK  Name = BDB031625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.180  -0.442  -0.548  0.00  0.00    -0.288 N 
ATOM      2  H   LIG    1       -0.782   0.344  -0.038  0.00  0.00    +0.151 HD
ATOM      3  C   LIG    1       -0.349  -1.527  -0.550  0.00  0.00    +0.308 C 
ATOM      4  N   LIG    1        0.980  -1.284  -0.197  0.00  0.00    -0.240 N 
ATOM      5  C   LIG    1        1.466  -0.094   0.435  0.00  0.00    +0.132 A 
ATOM      6  C   LIG    1        2.814   0.004   0.806  0.00  0.00    -0.007 A 
ATOM      7  C   LIG    1        3.253   1.166   1.458  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        2.362   2.199   1.706  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.056   2.033   1.299  0.00  0.00    +0.113 A 
ATOM     10  C   LIG    1        3.793  -1.111   0.575  0.00  0.00    +0.040 C 
ATOM     11  C   LIG    1        3.326  -2.013  -0.550  0.00  0.00    +0.024 C 
ATOM     12  N   LIG    1        0.596   0.923   0.677  0.00  0.00    -0.240 NA
ATOM     13  C   LIG    1        1.887  -2.424  -0.297  0.00  0.00    +0.117 C 
ATOM     14  O   LIG    1       -0.755  -2.637  -0.894  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1  21
ATOM     15  O   LIG    1       -3.534   3.002   1.268  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -3.409   1.942   0.660  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -3.550   0.741   1.306  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -3.770   0.795   2.291  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -3.137  -0.499   0.871  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1       -3.076  -1.435   1.664  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1       -2.626  -0.572  -0.573  0.00  0.00    +0.161 C 
ATOM     22  C   LIG    1       -3.271   0.526  -1.413  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -3.030   1.898  -0.800  0.00  0.00    +0.098 C 
ENDBRANCH   1  21
TORSDOF 1