REMARK  Name = BDB012763
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.950   1.421  -1.420  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.133   0.707  -0.563  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        1.278   0.539  -0.876  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.875  -0.162   0.346  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        0.693  -0.987   0.856  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.493  -0.061   0.619  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.499   1.849  -2.484  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -4.409   1.967  -0.311  0.00  0.00    +0.097 A 
ATOM      9  N   LIG    1       -4.462   2.297  -1.608  0.00  0.00    -0.175 NA
ATOM     10  N   LIG    1       -3.200   2.127  -2.035  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -2.971   2.346  -3.000  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -2.333   1.654  -1.082  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -3.100   1.570   0.063  0.00  0.00    +0.060 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -6.613   0.928   0.290  0.00  0.00    +0.050 C 
ATOM     15  C   LIG    1       -5.623   2.047   0.563  0.00  0.00    +0.213 C 
ATOM     16  F   LIG    1       -5.266   1.965   1.882  0.00  0.00    -0.239 F 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        3.038  -0.972   0.052  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1        3.137  -1.393  -0.864  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        3.865  -1.415   1.054  0.00  0.00    +0.216 C 
ATOM     20  O   LIG    1        3.749  -1.128   2.236  0.00  0.00    -0.276 OA
BRANCH  19  21
ATOM     21  C   LIG    1        4.930  -2.343   0.599  0.00  0.00    +0.075 C 
ATOM     22  C   LIG    1        5.834  -2.000  -0.563  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1        6.378  -1.982   0.835  0.00  0.00    +0.013 C 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4