REMARK  Name = BDB018691
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.704   0.995   0.110  0.00  0.00    -0.265 N 
ATOM      2  C   LIG    1       -1.208   1.008   0.103  0.00  0.00    +0.174 C 
ATOM      3  C   LIG    1       -0.748  -0.392  -0.360  0.00  0.00    +0.205 C 
ATOM      4  C   LIG    1       -0.352  -1.239   0.869  0.00  0.00    +0.263 C 
ATOM      5  O   LIG    1       -1.126  -1.943   1.511  0.00  0.00    -0.271 OA
ATOM      6  N   LIG    1        0.952  -1.085   1.268  0.00  0.00    -0.278 N 
ATOM      7  H   LIG    1        1.237  -1.540   2.126  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1        1.879  -0.449   0.440  0.00  0.00    +0.096 A 
ATOM      9  C   LIG    1        1.520  -0.041  -0.846  0.00  0.00    +0.238 A 
ATOM     10  N   LIG    1        2.372   0.554  -1.701  0.00  0.00    -0.220 NA
ATOM     11  C   LIG    1        3.634   0.751  -1.260  0.00  0.00    +0.115 A 
ATOM     12  C   LIG    1        4.082   0.373  -0.002  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        3.186  -0.246   0.865  0.00  0.00    +0.030 A 
ATOM     14  O   LIG    1        0.268  -0.273  -1.358  0.00  0.00    -0.457 OA
ATOM     15  C   LIG    1       -1.998  -0.954  -1.039  0.00  0.00    +0.079 C 
ATOM     16  C   LIG    1       -3.156  -0.371  -0.248  0.00  0.00    +0.121 C 
ENDROOT
BRANCH   1  18
ATOM     17  N   LIG    1       -4.092   2.641   1.373  0.00  0.00    -0.174 NA
ATOM     18  C   LIG    1       -3.454   1.878   0.782  0.00  0.00    +0.169 C 
ENDBRANCH   1  18
TORSDOF 1