REMARK  Name = LIG000835
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.431  -0.685   0.980  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        0.680  -0.002   0.006  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -0.698   0.026   0.135  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -1.726   0.646  -0.750  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -2.963   0.402  -0.021  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -2.763  -0.413   1.083  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -3.591  -0.912   1.819  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.315  -0.605   1.211  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -0.607  -1.276   2.191  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.786  -1.308   2.073  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  19
ATOM     11  C   LIG    1        8.389   1.088  -0.504  0.00  0.00    +0.069 C 
ATOM     12  C   LIG    1        7.053   0.558  -0.139  0.00  0.00    +0.081 A 
ATOM     13  C   LIG    1        5.797   1.182  -0.301  0.00  0.00    +0.108 A 
ATOM     14 CL   LIG    1        5.512   2.717  -0.967  0.00  0.00    -0.078 Cl
ATOM     15  C   LIG    1        4.870   0.290   0.190  0.00  0.00    +0.175 A 
ATOM     16  N   LIG    1        5.607  -0.815   0.618  0.00  0.00    -0.220 N 
ATOM     17  C   LIG    1        4.965  -1.919   1.165  0.00  0.00    +0.117 A 
ATOM     18  C   LIG    1        3.632  -1.935   1.301  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1        2.917  -0.699   0.836  0.00  0.00    +0.075 A 
ATOM     20  N   LIG    1        3.504   0.337   0.301  0.00  0.00    -0.226 NA
ATOM     21  N   LIG    1        6.939  -0.655   0.418  0.00  0.00    -0.169 NA
ENDBRANCH   1  19
BRANCH   5  22
ATOM     22  C   LIG    1       -4.264   0.651  -0.634  0.00  0.00    +0.163 C 
ATOM     23  C   LIG    1       -4.753  -0.580  -1.413  0.00  0.00    +0.240 C 
ATOM     24  O   LIG    1       -3.998  -1.383  -1.959  0.00  0.00    -0.273 OA
ATOM     25  N   LIG    1       -6.116  -0.686  -1.578  0.00  0.00    -0.255 N 
ATOM     26  H   LIG    1       -6.435  -1.479  -2.118  0.00  0.00    +0.158 HD
ATOM     27  C   LIG    1       -7.086   0.195  -1.171  0.00  0.00    +0.219 C 
ATOM     28  O   LIG    1       -8.260   0.033  -1.491  0.00  0.00    -0.275 OA
ATOM     29  C   LIG    1       -6.622   1.406  -0.396  0.00  0.00    +0.098 C 
ATOM     30  C   LIG    1       -5.331   1.119   0.354  0.00  0.00    +0.041 C 
ENDBRANCH   5  22
TORSDOF 2