REMARK  Name = BDB036816
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.453   0.415   0.092  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1       -1.162   0.664  -0.850  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -0.541   0.717   1.095  0.00  0.00    +0.263 C 
ATOM      4  O   LIG    1       -0.880   0.912   2.257  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.895   0.819   0.669  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        1.641   1.749   1.313  0.00  0.00    -0.250 NA
ATOM      7  C   LIG    1        2.935   1.856   0.940  0.00  0.00    +0.120 A 
ATOM      8  C   LIG    1        3.540   1.081  -0.053  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        2.740   0.120  -0.703  0.00  0.00    -0.014 A 
ATOM     10  C   LIG    1        3.314  -0.683  -1.702  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        4.658  -0.531  -2.053  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.444   0.421  -1.410  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.891   1.225  -0.413  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        1.397  -0.011  -0.331  0.00  0.00    +0.041 A 
ENDBRANCH   3   5
BRANCH   1  21
ATOM     15  O   LIG    1       -4.613  -2.867  -1.264  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -4.228  -1.855  -0.686  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -4.409  -0.617  -1.244  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -4.806  -0.648  -2.174  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -3.591   0.458  -1.012  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1       -3.335   1.254  -1.916  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1       -2.888   0.520   0.350  0.00  0.00    +0.160 C 
ATOM     22  C   LIG    1       -3.433  -0.554   1.292  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -3.449  -1.910   0.606  0.00  0.00    +0.098 C 
ENDBRANCH   1  21
TORSDOF 2