REMARK  Name = BDB062206
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.367  -0.803  -0.171  0.00  0.00    +0.192 C 
ATOM      2  N   LIG    1       -0.654  -1.964   0.468  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.561  -2.386   0.557  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.499  -2.540   0.887  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        0.652  -3.589   1.478  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.524  -1.563   0.429  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.828  -1.740   0.680  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.904  -0.525  -0.234  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.927  -0.842   0.292  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        5.031  -0.730   1.153  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        6.078   0.084   0.773  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        7.212   0.307   1.491  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        7.912   1.215   0.616  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        7.195   1.510  -0.601  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        6.070   0.769  -0.418  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        5.015   0.675  -1.297  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        3.938  -0.144  -0.936  0.00  0.00    +0.012 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.329  -0.028  -0.740  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1       -0.956   0.757  -1.264  0.00  0.00    +0.155 HD
BRANCH  18  25
ATOM     20  C   LIG    1       -6.822   0.731   0.758  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -5.385   0.542   0.356  0.00  0.00    -0.047 A 
ATOM     22  C   LIG    1       -4.932   0.874  -0.934  0.00  0.00    -0.046 A 
ATOM     23  C   LIG    1       -5.867   1.418  -1.979  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1       -3.576   0.680  -1.256  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1       -2.658   0.171  -0.325  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1       -3.126  -0.149   0.950  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -4.470   0.037   1.289  0.00  0.00    +0.005 A 
ENDBRANCH  18  25
ENDBRANCH   1  18
TORSDOF 3