REMARK  Name = BDB057254
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.116   0.061   0.268  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        0.765   0.007  -0.100  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1       -0.255   0.021   0.863  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        0.108   0.086   2.214  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        1.451   0.134   2.590  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.454   0.119   1.619  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.666  -0.032   0.503  0.00  0.00    +0.089 A 
ATOM      8  N   LIG    1       -2.686  -0.011   1.454  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1       -3.784  -0.071   0.750  0.00  0.00    +0.110 A 
ATOM     10  C   LIG    1       -5.235  -0.084   1.012  0.00  0.00    +0.076 C 
ATOM     11  C   LIG    1       -5.806   0.221  -0.397  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1       -4.709  -0.188  -1.399  0.00  0.00    +0.123 C 
ATOM     13  N   LIG    1       -3.520  -0.132  -0.580  0.00  0.00    -0.334 N 
ATOM     14  C   LIG    1       -2.191  -0.104  -0.782  0.00  0.00    +0.115 A 
ENDBRANCH   3   7
BRANCH   1  15
ATOM     15  O   LIG    1        2.986   0.036  -0.786  0.00  0.00    -0.489 OA
BRANCH  15  17
ATOM     16  C   LIG    1        5.068  -1.087  -0.271  0.00  0.00    +0.051 C 
ATOM     17  C   LIG    1        4.381   0.247  -0.546  0.00  0.00    +0.167 C 
ATOM     18  C   LIG    1        4.953   0.875  -1.816  0.00  0.00    +0.051 C 
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 3