REMARK  Name = BDB037075
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.143  -0.309   0.483  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        2.190   0.034   1.405  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1        2.313   0.194   2.605  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.932   0.174   0.677  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1        1.197  -0.054  -0.658  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        0.210   0.016  -1.621  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -1.093   0.330  -1.197  0.00  0.00    -0.005 A 
ATOM      8  C   LIG    1       -2.195   0.422  -2.211  0.00  0.00    +0.043 C 
ATOM      9  C   LIG    1       -3.414   1.119  -1.627  0.00  0.00    +0.053 C 
ATOM     10  C   LIG    1       -3.732   0.635  -0.200  0.00  0.00    +0.113 C 
ATOM     11  C   LIG    1       -4.863   1.528   0.365  0.00  0.00    +0.063 C 
ATOM     12  C   LIG    1       -5.704   0.775   1.391  0.00  0.00    +0.085 C 
ATOM     13  N   LIG    1       -6.403  -0.361   0.787  0.00  0.00    -0.316 NA
ATOM     14  H   LIG    1       -6.664  -1.018   1.523  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1       -5.639  -1.046  -0.254  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1       -4.133  -0.858  -0.116  0.00  0.00    +0.063 C 
ATOM     17  O   LIG    1       -2.596   0.842   0.670  0.00  0.00    -0.485 OA
ATOM     18  C   LIG    1       -1.358   0.540   0.175  0.00  0.00    +0.125 A 
ATOM     19  C   LIG    1       -0.336   0.477   1.128  0.00  0.00    +0.059 A 
ATOM     20  C   LIG    1        2.625  -0.338  -0.783  0.00  0.00    +0.255 C 
ATOM     21  O   LIG    1        3.191  -0.536  -1.841  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  28
ATOM     22  O   LIG    1        8.617  -0.208   0.068  0.00  0.00    -0.275 OA
ATOM     23  C   LIG    1        7.410  -0.282   0.281  0.00  0.00    +0.219 C 
ATOM     24  N   LIG    1        6.620   0.841   0.275  0.00  0.00    -0.255 N 
ATOM     25  H   LIG    1        7.082   1.704   0.025  0.00  0.00    +0.158 HD
ATOM     26  C   LIG    1        5.251   0.911   0.414  0.00  0.00    +0.240 C 
ATOM     27  O   LIG    1        4.666   1.983   0.277  0.00  0.00    -0.273 OA
ATOM     28  C   LIG    1        4.558  -0.397   0.810  0.00  0.00    +0.171 C 
ATOM     29  C   LIG    1        5.275  -1.586   0.176  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1        6.729  -1.588   0.622  0.00  0.00    +0.098 C 
ENDBRANCH   1  28
TORSDOF 1