REMARK  Name = BDB031269
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.181  -0.254   0.075  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1       -2.038   0.866   0.037  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -3.388   0.670   0.227  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1       -3.931  -0.588   0.455  0.00  0.00    +0.067 A 
ATOM      5  N   LIG    1       -5.305  -0.444   0.606  0.00  0.00    -0.306 N 
ATOM      6  H   LIG    1       -5.981  -1.168   0.783  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1       -5.631   0.914   0.476  0.00  0.00    +0.325 A 
ATOM      8  O   LIG    1       -6.743   1.405   0.553  0.00  0.00    -0.247 OA
ATOM      9  C   LIG    1       -3.151  -1.711   0.505  0.00  0.00    +0.029 A 
ATOM     10  N   LIG    1       -4.428   1.594   0.241  0.00  0.00    -0.306 N 
ATOM     11  H   LIG    1       -4.363   2.590   0.109  0.00  0.00    +0.170 HD
ATOM     12  C   LIG    1       -1.772  -1.529   0.315  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  18
ATOM     13  C   LIG    1        5.376  -0.012   0.265  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        4.407   0.470  -0.785  0.00  0.00    +0.213 C 
ATOM     15  N   LIG    1        3.070   0.181  -0.584  0.00  0.00    -0.299 N 
ATOM     16  C   LIG    1        2.546  -0.595   0.544  0.00  0.00    +0.126 C 
ATOM     17  C   LIG    1        1.137  -1.166   0.295  0.00  0.00    +0.124 C 
ATOM     18  N   LIG    1        0.191  -0.112  -0.102  0.00  0.00    -0.327 N 
ATOM     19  C   LIG    1        0.731   1.020  -0.882  0.00  0.00    +0.124 C 
ATOM     20  C   LIG    1        2.079   0.678  -1.541  0.00  0.00    +0.126 C 
ATOM     21  O   LIG    1        4.813   1.085  -1.771  0.00  0.00    -0.276 OA
ENDBRANCH   1  18
TORSDOF 1