REMARK  Name = BDB056613
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.445   0.486  -0.709  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1       -1.434   0.092   0.172  0.00  0.00    -0.322 N 
ATOM      3  C   LIG    1       -1.306  -0.931   1.191  0.00  0.00    +0.142 C 
ATOM      4  C   LIG    1       -2.583  -1.733   1.394  0.00  0.00    +0.126 C 
ATOM      5  N   LIG    1       -3.599  -0.990   2.107  0.00  0.00    -0.310 N 
ATOM      6  H   LIG    1       -4.063  -1.439   2.889  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -4.296   0.100   1.657  0.00  0.00    +0.246 C 
ATOM      8  C   LIG    1       -3.872   0.837   0.445  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1       -4.804   1.694  -0.175  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -4.479   2.436  -1.310  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -3.199   2.356  -1.861  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -2.249   1.522  -1.252  0.00  0.00    +0.090 A 
ATOM     13  O   LIG    1       -5.296   0.455   2.278  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -2.590   0.779  -0.124  0.00  0.00    +0.081 A 
ATOM     15  N   LIG    1       -0.946   1.308  -1.611  0.00  0.00    -0.228 NA
ENDROOT
BRANCH   1  19
ATOM     16  C   LIG    1        3.630  -0.833  -0.694  0.00  0.00    +0.122 A 
ATOM     17  C   LIG    1        2.855  -0.908  -1.854  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        1.527  -0.474  -1.855  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        0.948   0.036  -0.689  0.00  0.00    +0.018 A 
ATOM     20  C   LIG    1        1.736   0.138   0.465  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1        3.068  -0.297   0.464  0.00  0.00    +0.046 A 
BRANCH  16  22
ATOM     22  O   LIG    1        4.911  -1.287  -0.837  0.00  0.00    -0.480 OA
BRANCH  22  23
ATOM     23  C   LIG    1        5.721  -1.431   0.332  0.00  0.00    +0.317 C 
BRANCH  23  25
ATOM     24  C   LIG    1        6.941   0.860   0.961  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1        6.393  -0.171   0.679  0.00  0.00    -0.065 C 
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  16  22
ENDBRANCH   1  19
TORSDOF 4