REMARK  Name = LIG000825
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.077   0.966  -2.355  0.00  0.00    +0.141 C 
ENDROOT
BRANCH   1   5
ATOM      2  N   LIG    1       -2.718  -0.810  -0.870  0.00  0.00    -0.269 N 
ATOM      3  H   LIG    1       -2.323  -1.694  -1.153  0.00  0.00    +0.156 HD
ATOM      4  C   LIG    1       -2.055   0.304  -1.339  0.00  0.00    +0.304 C 
ATOM      5  N   LIG    1       -0.837  -0.051  -1.883  0.00  0.00    -0.295 N 
ATOM      6  H   LIG    1       -0.397  -0.864  -1.478  0.00  0.00    +0.151 HD
ATOM      7  O   LIG    1       -2.462   1.457  -1.320  0.00  0.00    -0.252 OA
BRANCH   2  13
ATOM      8  C   LIG    1       -7.707  -1.300   1.922  0.00  0.00    +0.045 C 
ATOM      9  C   LIG    1       -6.404  -1.128   1.193  0.00  0.00    -0.032 A 
ATOM     10  C   LIG    1       -5.856   0.138   0.938  0.00  0.00    +0.046 A 
ATOM     11 CL   LIG    1       -6.654   1.582   1.458  0.00  0.00    -0.083 Cl
ATOM     12  C   LIG    1       -4.640   0.272   0.256  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1       -3.950  -0.857  -0.186  0.00  0.00    +0.036 A 
ATOM     14  C   LIG    1       -4.489  -2.122   0.072  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -5.703  -2.257   0.752  0.00  0.00    +0.006 A 
ENDBRANCH   2  13
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1        1.046   1.359  -1.269  0.00  0.00    -0.029 A 
ATOM     17  C   LIG    1        2.230   0.625  -1.075  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1        3.131   0.931  -0.044  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        2.816   2.015   0.791  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1        1.639   2.749   0.614  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        0.753   2.418  -0.406  0.00  0.00    +0.005 A 
BRANCH  18  22
ATOM     22  N   LIG    1        4.335   0.169   0.141  0.00  0.00    -0.255 N 
ATOM     23  C   LIG    1        4.408  -1.189  -0.190  0.00  0.00    +0.313 C 
ATOM     24  O   LIG    1        3.511  -1.879  -0.670  0.00  0.00    -0.252 OA
ATOM     25  N   LIG    1        5.617  -1.792   0.071  0.00  0.00    -0.240 N 
ATOM     26  H   LIG    1        5.659  -2.778  -0.143  0.00  0.00    +0.159 HD
ATOM     27  C   LIG    1        6.822  -1.167   0.224  0.00  0.00    +0.222 C 
ATOM     28  O   LIG    1        7.879  -1.792   0.195  0.00  0.00    -0.275 OA
ATOM     29  C   LIG    1        6.773   0.325   0.330  0.00  0.00    +0.115 C 
ATOM     30  C   LIG    1        5.437   0.740   0.910  0.00  0.00    +0.124 C 
ENDBRANCH  18  22
ENDBRANCH   1  16
TORSDOF 4