REMARK  Name = BDB052842
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.455  -0.777   1.020  0.00  0.00    +0.106 A 
ATOM      2  C   LIG    1        0.173  -2.098   1.471  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -1.005  -2.521   0.849  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1       -1.463  -3.847   1.005  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -0.765  -4.710   1.855  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.375  -4.284   2.522  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -1.488  -1.451   0.089  0.00  0.00    -0.280 N 
ATOM      8  C   LIG    1        0.857  -2.988   2.329  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -0.603  -0.379   0.210  0.00  0.00    +0.219 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1        1.890   0.192   2.583  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        1.612   0.025   1.397  0.00  0.00    +0.252 C 
ATOM     12  N   LIG    1        2.379   0.582   0.368  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        3.514   1.411   0.773  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1        4.009   2.326  -0.359  0.00  0.00    +0.100 C 
ATOM     15  N   LIG    1        4.279   1.597  -1.613  0.00  0.00    -0.313 NA
ATOM     16  H   LIG    1        5.011   0.910  -1.433  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        3.056   0.884  -2.020  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1        2.522  -0.071  -0.939  0.00  0.00    +0.123 C 
ENDBRANCH   1  11
BRANCH   7  19
ATOM     19  C   LIG    1       -2.710  -1.433  -0.657  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -2.779  -0.767  -1.889  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -3.974  -0.748  -2.612  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.107  -1.384  -2.109  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.049  -2.038  -0.880  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.856  -2.062  -0.153  0.00  0.00    +0.026 A 
ENDBRANCH   7  19
BRANCH   9  25
ATOM     25  O   LIG    1       -0.873   0.791  -0.388  0.00  0.00    -0.438 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -0.638   1.992   0.237  0.00  0.00    +0.133 A 
ATOM     27  C   LIG    1       -0.152   3.029  -0.556  0.00  0.00    +0.084 A 
ATOM     28  C   LIG    1        0.089   4.269   0.022  0.00  0.00    +0.127 A 
ATOM     29  F   LIG    1        0.574   5.264  -0.732  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -0.162   4.496   1.372  0.00  0.00    +0.038 A 
ATOM     31  C   LIG    1       -0.674   3.465   2.158  0.00  0.00    +0.006 A 
ATOM     32  C   LIG    1       -0.922   2.213   1.588  0.00  0.00    +0.046 A 
ENDBRANCH  25  26
ENDBRANCH   9  25
TORSDOF 4