REMARK  Name = BDB047960
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.966  -0.638   0.082  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1        2.218   0.061   0.105  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        3.223  -0.914   0.041  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        4.590  -0.605   0.032  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1        4.974   0.731   0.099  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1        4.011   1.728   0.179  0.00  0.00    +0.002 A 
ATOM      7 CL   LIG    1        5.776  -1.847  -0.053  0.00  0.00    -0.081 Cl
ATOM      8  N   LIG    1        2.605  -2.141  -0.000  0.00  0.00    -0.324 N 
ATOM      9  H   LIG    1        3.113  -3.013  -0.044  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1        2.646   1.405   0.186  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        1.248  -1.997   0.038  0.00  0.00    +0.201 A 
ENDROOT
BRANCH   1  21
ATOM     12  C   LIG    1       -1.129   1.096   0.078  0.00  0.00    +0.140 A 
ATOM     13  C   LIG    1       -2.551   0.926   0.118  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1       -2.789  -0.447   0.171  0.00  0.00    +0.049 A 
ATOM     15  C   LIG    1       -4.074  -1.000   0.220  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -5.158  -0.119   0.211  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -4.962   1.258   0.151  0.00  0.00    +0.001 A 
ATOM     18  N   LIG    1       -1.563  -1.063   0.153  0.00  0.00    -0.352 N 
ATOM     19  H   LIG    1       -1.409  -2.063   0.172  0.00  0.00    +0.166 HD
ATOM     20  C   LIG    1       -3.668   1.792   0.102  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -0.532  -0.148   0.104  0.00  0.00    +0.082 A 
BRANCH  12  23
ATOM     22  O   LIG    1       -1.009   3.338   0.501  0.00  0.00    -0.143 OA
ATOM     23  N   LIG    1       -0.441   2.382  -0.037  0.00  0.00    -0.028 NA
ENDBRANCH  12  23
ENDBRANCH   1  21
BRANCH  11  24
ATOM     24  O   LIG    1        0.431  -3.050   0.019  0.00  0.00    -0.493 OA
ATOM     25  H   LIG    1        0.955  -3.870  -0.025  0.00  0.00    +0.294 HD
ENDBRANCH  11  24
TORSDOF 3