REMARK  Name = BDB007847
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.681  -0.391  -0.291  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        0.925   0.189   0.652  0.00  0.00    -0.233 NA
ATOM      3  C   LIG    1       -0.426   0.158   0.506  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1       -1.255   0.798   1.572  0.00  0.00    +0.167 C 
ATOM      5  N   LIG    1       -2.511   1.317   1.046  0.00  0.00    -0.277 N 
ATOM      6  C   LIG    1       -3.255   0.494   0.186  0.00  0.00    +0.314 C 
ATOM      7  N   LIG    1       -2.517  -0.438  -0.576  0.00  0.00    -0.222 N 
ATOM      8  O   LIG    1       -4.481   0.608   0.116  0.00  0.00    -0.252 OA
ATOM      9  C   LIG    1       -1.088  -0.477  -0.535  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1       -0.278  -1.058  -1.515  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        1.115  -1.019  -1.392  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -3.203  -1.344  -1.451  0.00  0.00    +0.044 A 
ATOM     13  C   LIG    1       -4.241  -0.898  -2.281  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1       -4.912  -1.792  -3.117  0.00  0.00    +0.043 A 
ATOM     15 CL   LIG    1       -6.166  -1.223  -4.149  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1       -4.572  -3.143  -3.130  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -3.558  -3.606  -2.297  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -2.881  -2.713  -1.461  0.00  0.00    +0.024 A 
ENDBRANCH   7  12
BRANCH   1  20
ATOM     19  C   LIG    1        3.830   0.234   0.778  0.00  0.00    +0.235 C 
ATOM     20  N   LIG    1        3.070  -0.383  -0.199  0.00  0.00    -0.269 N 
ATOM     21  H   LIG    1        3.619  -0.792  -0.949  0.00  0.00    +0.156 HD
ATOM     22  O   LIG    1        3.420   0.868   1.744  0.00  0.00    -0.274 OA
BRANCH  19  23
ATOM     23  C   LIG    1        5.343  -0.035   0.552  0.00  0.00    +0.137 C 
ATOM     24  C   LIG    1        6.182   1.071   1.191  0.00  0.00    +0.034 C 
BRANCH  23  26
ATOM     25  C   LIG    1        6.864  -0.838  -1.185  0.00  0.00    +0.101 C 
ATOM     26  N   LIG    1        5.596  -0.171  -0.911  0.00  0.00    -0.309 NA
ATOM     27  H   LIG    1        5.623   0.768  -1.317  0.00  0.00    +0.122 HD
ENDBRANCH  23  26
ENDBRANCH  19  23
ENDBRANCH   1  20
BRANCH   5  28
ATOM     28  C   LIG    1       -3.250   2.308   1.849  0.00  0.00    +0.072 C 
ATOM     29  C   LIG    1       -3.792   1.703   3.147  0.00  0.00    +0.028 C 
ATOM     30  C   LIG    1       -2.433   3.570   2.135  0.00  0.00    +0.028 C 
ENDBRANCH   5  28
TORSDOF 5