REMARK  Name = BDB028031
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.831   0.357  -0.537  0.00  0.00    +0.132 C 
ATOM      2  N   LIG    1        4.405   0.154  -0.604  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        3.705  -0.150  -1.757  0.00  0.00    +0.247 C 
ATOM      4  O   LIG    1        4.127  -0.291  -2.888  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1        2.298  -0.284  -1.361  0.00  0.00    +0.042 A 
ATOM      6  C   LIG    1        2.206  -0.060   0.008  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1        0.977  -0.134   0.645  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1       -0.183  -0.414  -0.106  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -0.043  -0.669  -1.489  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        1.199  -0.592  -2.132  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        3.557   0.226   0.572  0.00  0.00    +0.143 C 
ENDROOT
BRANCH   8  12
ATOM     12  N   LIG    1       -1.387  -0.549   0.595  0.00  0.00    -0.333 N 
ATOM     13  H   LIG    1       -1.398   0.058   1.411  0.00  0.00    +0.147 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -2.681  -0.645  -0.102  0.00  0.00    +0.158 C 
ATOM     15  C   LIG    1       -3.109   0.704  -0.691  0.00  0.00    +0.239 C 
ATOM     16  O   LIG    1       -2.959   1.001  -1.874  0.00  0.00    -0.273 OA
ATOM     17  N   LIG    1       -3.685   1.594   0.185  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -3.967   2.471  -0.232  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -4.357   1.270   1.334  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1       -5.140   2.061   1.851  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1       -4.063  -0.081   1.940  0.00  0.00    +0.098 C 
ATOM     22  C   LIG    1       -3.760  -1.123   0.874  0.00  0.00    +0.041 C 
ENDBRANCH  12  14
ENDBRANCH   8  12
TORSDOF 2