REMARK  Name = BDB014220
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.061   0.305   0.435  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1       -1.951  -0.340  -0.118  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -1.977  -1.706  -0.374  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1       -0.724  -2.067  -0.924  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        0.050  -0.923  -0.996  0.00  0.00    +0.052 A 
ATOM      6  N   LIG    1       -3.050  -2.490  -0.116  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1       -4.110  -1.849   0.418  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1       -0.713   0.114  -0.506  0.00  0.00    -0.354 N 
ATOM      9  H   LIG    1       -0.411   1.080  -0.432  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1       -4.172  -0.495   0.706  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1       -4.058   2.334   1.223  0.00  0.00    -0.245 OA
ATOM     12  C   LIG    1       -3.110   1.746   0.736  0.00  0.00    +0.339 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -1.974   2.395   0.417  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1       -2.161   3.323   0.678  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   5  15
ATOM     15  C   LIG    1        1.443  -0.708  -1.487  0.00  0.00    +0.191 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.345  -0.054  -0.457  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1        2.868   1.237  -0.632  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1        3.691   1.814   0.337  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.006   1.108   1.496  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        3.500  -0.175   1.687  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        2.677  -0.753   0.718  0.00  0.00    +0.006 A 
ENDBRANCH  15  16
BRANCH  15  22
ATOM     22  O   LIG    1        1.306   0.098  -2.653  0.00  0.00    -0.381 OA
ATOM     23  H   LIG    1        0.745  -0.409  -3.264  0.00  0.00    +0.211 HD
ENDBRANCH  15  22
ENDBRANCH   5  15
TORSDOF 5