REMARK  Name = BDB056513
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.885  -1.524   0.785  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        1.829  -0.391   0.318  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1        1.126  -0.064  -0.816  0.00  0.00    -0.311 N 
ATOM      4  H   LIG    1        1.072   0.910  -1.096  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.305  -1.024  -1.515  0.00  0.00    +0.141 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -1.131  -0.904  -1.104  0.00  0.00    -0.012 A 
ATOM      7  C   LIG    1       -1.611  -1.563   0.017  0.00  0.00    +0.118 A 
ATOM      8  N   LIG    1       -2.891  -1.490   0.455  0.00  0.00    -0.240 NA
ATOM      9  C   LIG    1       -3.767  -0.715  -0.219  0.00  0.00    +0.121 A 
ATOM     10  C   LIG    1       -3.358  -0.026  -1.362  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -2.037  -0.112  -1.803  0.00  0.00    +0.010 A 
BRANCH   9  12
ATOM     12  N   LIG    1       -5.088  -0.654   0.215  0.00  0.00    -0.311 N 
ATOM     13  C   LIG    1       -5.433  -1.550   1.332  0.00  0.00    +0.134 C 
ATOM     14  C   LIG    1       -6.923  -1.385   1.671  0.00  0.00    +0.178 C 
ATOM     15  O   LIG    1       -7.289  -0.053   2.070  0.00  0.00    -0.377 OA
ATOM     16  C   LIG    1       -6.361   0.945   1.625  0.00  0.00    +0.178 C 
ATOM     17  C   LIG    1       -5.763   0.656   0.236  0.00  0.00    +0.134 C 
ENDBRANCH   9  12
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  18
ATOM     18  C   LIG    1        2.542   0.773   0.959  0.00  0.00    +0.153 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.658   1.315   0.096  0.00  0.00    +0.078 A 
ATOM     20  C   LIG    1        4.966   0.616   0.047  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1        5.955   1.175  -0.759  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1        7.218   0.580  -0.858  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1        7.489  -0.588  -0.146  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        6.502  -1.157   0.656  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.653   2.400  -1.518  0.00  0.00    +0.272 A 
ATOM     26  O   LIG    1        6.492   2.933  -2.235  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1        4.382   2.901  -1.379  0.00  0.00    -0.242 N 
ATOM     28  H   LIG    1        4.163   3.751  -1.890  0.00  0.00    +0.192 HD
ATOM     29  C   LIG    1        5.240  -0.560   0.755  0.00  0.00    +0.010 A 
ATOM     30  N   LIG    1        3.397   2.388  -0.594  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 5