REMARK  Name = BDB031590
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.330   0.590   0.549  0.00  0.00    -0.288 N 
ATOM      2  H   LIG    1       -1.168   0.463   1.542  0.00  0.00    +0.151 HD
ATOM      3  C   LIG    1       -0.142   0.764  -0.137  0.00  0.00    +0.307 C 
ATOM      4  N   LIG    1        0.890  -0.083   0.298  0.00  0.00    -0.255 N 
ATOM      5  C   LIG    1        2.285   0.184   0.031  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        3.271  -0.772   0.367  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1        4.635  -0.498   0.149  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        5.037   0.708  -0.414  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        4.081   1.655  -0.750  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        2.919  -2.091   1.000  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        1.484  -2.467   0.701  0.00  0.00    +0.024 C 
ATOM     12  C   LIG    1        2.724   1.397  -0.524  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        0.581  -1.303   1.057  0.00  0.00    +0.115 C 
ATOM     14  O   LIG    1       -0.070   1.589  -1.042  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1  21
ATOM     15  O   LIG    1       -5.720  -1.116   0.109  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -4.837  -0.264   0.060  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -4.664   0.626   1.087  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -5.270   0.459   1.879  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -3.480   1.247   1.391  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1       -3.193   1.504   2.561  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1       -2.479   1.441   0.248  0.00  0.00    +0.161 C 
ATOM     22  C   LIG    1       -3.131   1.143  -1.102  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -3.838  -0.203  -1.069  0.00  0.00    +0.098 C 
ENDBRANCH   1  21
TORSDOF 1