REMARK  Name = BDB062874
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.243  -1.808  -0.358  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.383  -1.667   0.501  0.00  0.00    +0.246 C 
ATOM      3  N   LIG    1       -0.680  -1.374   1.807  0.00  0.00    -0.295 N 
ATOM      4  H   LIG    1        0.102  -1.171   2.417  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.044  -1.882   0.209  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1        1.763  -1.059  -0.646  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        1.435   0.135  -1.412  0.00  0.00    -0.006 A 
ATOM      8  C   LIG    1        2.587   0.585  -2.083  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        3.689  -0.338  -1.755  0.00  0.00    +0.194 C 
ATOM     10  O   LIG    1        4.836  -0.272  -2.141  0.00  0.00    -0.287 OA
ATOM     11  C   LIG    1        2.623   1.708  -2.889  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        1.436   2.423  -3.030  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        0.266   1.998  -2.375  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        0.261   0.852  -1.566  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        3.125  -1.354  -0.845  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1        3.788  -2.414  -0.249  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        3.050  -3.234   0.601  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        1.689  -2.971   0.832  0.00  0.00    +0.014 A 
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  CA  LIG    1       -1.973  -0.825   2.246  0.00  0.00    +0.213 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.177   0.581   1.691  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -1.416   1.645   2.211  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -1.540   2.935   1.689  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -2.425   3.177   0.641  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -2.564   4.760  -0.014  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -3.188   2.139   0.114  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -3.062   0.847   0.632  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
BRANCH  19  27
ATOM     27  C   LIG    1       -3.217  -1.740   2.126  0.00  0.00    +0.330 C 
ATOM     28  O   LIG    1       -4.188  -1.640   2.869  0.00  0.00    -0.249 OA
BRANCH  27  29
ATOM     29  OXT LIG    1       -3.224  -2.607   1.089  0.00  0.00    -0.479 OA
ATOM     30  HXT LIG    1       -2.494  -2.445   0.444  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  19  27
ENDBRANCH   3  19
TORSDOF 5