REMARK  Name = BDB031597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.011  -0.182   0.116  0.00  0.00    -0.288 N 
ATOM      2  H   LIG    1       -0.491   0.687   0.173  0.00  0.00    +0.151 HD
ATOM      3  C   LIG    1       -0.324  -1.207   0.722  0.00  0.00    +0.307 C 
ATOM      4  N   LIG    1        1.070  -1.130   0.646  0.00  0.00    -0.255 N 
ATOM      5  C   LIG    1        1.838  -0.364  -0.295  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        3.173  -0.024   0.002  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1        3.918   0.770  -0.885  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        3.369   1.183  -2.095  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        2.078   0.794  -2.431  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        3.812  -0.492   1.281  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        3.283  -1.877   1.602  0.00  0.00    +0.024 C 
ATOM     12  C   LIG    1        1.325   0.021  -1.542  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        1.770  -1.823   1.728  0.00  0.00    +0.115 C 
ATOM     14  O   LIG    1       -0.914  -2.083   1.353  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1  21
ATOM     15  O   LIG    1       -5.846   2.224   0.731  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -4.895   1.455   0.630  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -4.032   1.256   1.677  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -4.195   1.874   2.461  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -2.722   0.866   1.531  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1       -1.855   1.273   2.301  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1       -2.445  -0.050   0.330  0.00  0.00    +0.161 C 
ATOM     22  C   LIG    1       -3.124   0.553  -0.894  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -4.619   0.671  -0.633  0.00  0.00    +0.098 C 
ENDBRANCH   1  21
TORSDOF 1