REMARK  Name = BDB062183
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.093  -0.654  -3.669  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        1.220  -0.663  -2.462  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        0.178  -0.529  -1.408  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.110  -0.324  -1.712  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.767  -0.634  -0.165  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        2.037  -0.784  -0.411  0.00  0.00    +0.192 C 
ATOM      7  N   LIG    1        2.351  -0.811  -1.729  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1        3.258  -0.990  -2.122  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -2.224  -0.163  -0.765  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1       -3.286   0.683  -1.118  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -4.384   0.834  -0.270  0.00  0.00    +0.163 A 
ATOM     12  O   LIG    1       -5.383   1.672  -0.699  0.00  0.00    -0.485 OA
ATOM     13  C   LIG    1       -6.581   1.488   0.064  0.00  0.00    +0.270 C 
ATOM     14  C   LIG    1       -6.267   1.425   1.549  0.00  0.00    +0.270 C 
ATOM     15  O   LIG    1       -5.457   0.282   1.847  0.00  0.00    -0.485 OA
ATOM     16  C   LIG    1       -4.427   0.155   0.950  0.00  0.00    +0.162 A 
ATOM     17  C   LIG    1       -3.395  -0.710   1.299  0.00  0.00    +0.050 A 
ATOM     18  C   LIG    1       -2.301  -0.871   0.442  0.00  0.00    +0.012 A 
ENDBRANCH   4   9
BRANCH   6  19
ATOM     19  N   LIG    1        2.970  -0.955   0.564  0.00  0.00    -0.287 N 
ATOM     20  H   LIG    1        2.572  -1.008   1.496  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        4.322  -0.568   0.566  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        4.864   0.361  -0.331  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        6.227   0.675  -0.303  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        7.069   0.059   0.619  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.548  -0.868   1.516  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        5.186  -1.178   1.488  0.00  0.00    +0.023 A 
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 3