REMARK  Name = BDB062929
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.595   1.329  -1.762  0.00  0.00    +0.162 C 
ATOM      2  N   LIG    1        0.178   1.098  -1.406  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -0.304   1.365  -0.141  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1        0.478   1.798   0.716  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -0.568   0.693  -2.584  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1        0.147   1.417  -3.709  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        1.612   1.321  -3.303  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -1.795   1.092   0.211  0.00  0.00    +0.072 C 
ATOM      9  C   LIG    1       -2.044   1.394   1.717  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1       -3.527   1.716   1.810  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1       -3.828   2.488   0.536  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1       -2.683   2.186  -0.437  0.00  0.00    +0.021 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -2.178  -0.375  -0.057  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1       -1.315  -1.405   0.376  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -1.624  -2.747   0.149  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -0.543  -3.976   0.680  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -2.802  -3.097  -0.501  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -3.677  -2.098  -0.921  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -3.369  -0.752  -0.699  0.00  0.00    +0.005 A 
ENDBRANCH   8  13
ENDBRANCH   3   8
BRANCH   1  21
ATOM     20  O   LIG    1        3.275  -0.439  -1.897  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1        2.551   0.246  -1.177  0.00  0.00    +0.238 C 
ATOM     22  N   LIG    1        2.535   0.202   0.206  0.00  0.00    -0.284 N 
ATOM     23  H   LIG    1        1.920   0.881   0.659  0.00  0.00    +0.155 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.221  -0.677   1.064  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1        2.995  -0.524   2.439  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        3.624  -1.364   3.362  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1        4.481  -2.357   2.910  0.00  0.00    +0.117 A 
ATOM     28  C   LIG    1        4.719  -2.523   1.551  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1        4.087  -1.681   0.629  0.00  0.00    +0.027 A 
BRANCH  27  30
ATOM     30  O   LIG    1        5.074  -3.159   3.839  0.00  0.00    -0.507 OA
ATOM     31  H   LIG    1        5.631  -3.805   3.375  0.00  0.00    +0.292 HD
ENDBRANCH  27  30
ENDBRANCH  22  24
ENDBRANCH   1  21
TORSDOF 5