REMARK  Name = BDB051258
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.070   0.823   0.273  0.00  0.00    +0.066 A 
ATOM      2  N   LIG    1       -0.122   0.070   0.849  0.00  0.00    -0.169 NA
ATOM      3  N   LIG    1        0.994   0.352   0.145  0.00  0.00    -0.215 N 
ATOM      4  C   LIG    1        0.772   1.270  -0.854  0.00  0.00    +0.137 A 
ATOM      5  N   LIG    1        1.788   1.689  -1.683  0.00  0.00    -0.307 N 
ATOM      6  H   LIG    1        1.624   2.365  -2.419  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1        3.070   1.197  -1.534  0.00  0.00    +0.259 A 
ATOM      8  C   LIG    1        3.305   0.199  -0.446  0.00  0.00    +0.065 A 
ATOM      9  C   LIG    1        4.582  -0.334  -0.249  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        4.795  -1.267   0.771  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        3.739  -1.669   1.594  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        2.459  -1.144   1.406  0.00  0.00    +0.028 A 
ATOM     13  O   LIG    1        3.982   1.564  -2.267  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        2.254  -0.213   0.386  0.00  0.00    +0.080 A 
ATOM     15  C   LIG    1       -0.557   1.599  -0.798  0.00  0.00    +0.071 A 
ENDROOT
BRANCH   1  16
ATOM     16  C   LIG    1       -2.475   0.786   0.782  0.00  0.00    +0.060 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -4.573  -0.550   1.146  0.00  0.00    +0.007 C 
ATOM     18  C   LIG    1       -3.238  -0.496   0.400  0.00  0.00    -0.011 C 
ATOM     19  C   LIG    1       -3.485  -0.589  -1.108  0.00  0.00    +0.007 C 
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 2