REMARK  Name = BDB014536
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.201  -0.385  -3.054  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.316  -1.050  -1.970  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.333  -1.325  -1.238  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.499   0.014  -3.983  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -1.717  -0.175  -3.021  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1       -2.340  -0.522  -1.790  0.00  0.00    -0.482 OA
BRANCH   6   8
ATOM      7  C   LIG    1       -3.387   0.178   0.211  0.00  0.00    -0.001 A 
ATOM      8  C   LIG    1       -2.453   0.444  -0.820  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1       -1.681   1.612  -0.789  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -1.839   2.536   0.244  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -2.758   2.293   1.256  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.522   1.125   1.241  0.00  0.00    +0.007 A 
BRANCH   7  16
ATOM     13  C   LIG    1       -6.590   1.035  -1.190  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1       -6.552  -0.281  -0.558  0.00  0.00    -0.305 NA
ATOM     15  C   LIG    1       -5.341  -1.040  -0.909  0.00  0.00    +0.092 C 
ATOM     16  C   LIG    1       -4.227  -1.104   0.164  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1       -4.803  -1.619   1.503  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1       -6.313  -1.404   1.649  0.00  0.00    +0.016 C 
ATOM     19  C   LIG    1       -6.814  -0.187   0.879  0.00  0.00    +0.084 C 
ENDBRANCH   7  16
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  20
ATOM     20  C   LIG    1        1.728  -1.381  -1.814  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.627  -0.139  -1.645  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1        2.928   0.446  -2.923  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        2.114   0.385  -3.471  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        3.975  -0.493  -0.975  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1        3.873  -1.040   0.393  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        5.181  -1.539   0.865  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        6.154  -0.470   1.317  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        5.700   0.799   1.718  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        6.620   1.759   2.163  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        7.979   1.452   2.232  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.430   0.190   1.855  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        4.238   1.152   1.611  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        7.523  -0.768   1.402  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        3.348  -0.079   1.380  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9