REMARK  Name = BDB053450
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.679  -2.705   0.805  0.00  0.00    +0.141 C 
ATOM      2  N   LIG    1       -1.429  -2.008   0.606  0.00  0.00    -0.241 N 
ATOM      3  C   LIG    1       -1.173  -0.960  -0.229  0.00  0.00    +0.194 C 
ATOM      4  N   LIG    1        0.080  -0.600  -0.279  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1        0.722  -1.439   0.602  0.00  0.00    +0.130 C 
ATOM      6  C   LIG    1        2.023  -1.481   0.917  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -0.260  -2.387   1.196  0.00  0.00    +0.271 C 
ATOM      8  O   LIG    1       -0.045  -3.276   1.998  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        3.083  -0.610   0.387  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        2.874   0.750   0.112  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        3.941   1.496  -0.347  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        3.907   2.820  -0.662  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        5.273   3.036  -1.070  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        6.094   1.853  -0.982  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        5.188   0.947  -0.527  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        5.439  -0.378  -0.256  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        4.375  -1.159   0.211  0.00  0.00    +0.012 A 
ENDBRANCH   6   9
BRANCH   3  18
ATOM     18  N   LIG    1       -2.128  -0.343  -0.991  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1       -1.678   0.332  -1.607  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.285   0.274  -0.451  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1       -3.375   0.690   0.884  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -4.522   1.336   1.352  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -5.585   1.587   0.488  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.499   1.200  -0.847  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -4.352   0.556  -1.315  0.00  0.00    +0.023 A 
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 3