REMARK  Name = LIG000052
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.758  -0.199  -0.736  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -2.533  -0.586   0.382  0.00  0.00    +0.053 A 
ATOM      3 CL   LIG    1       -1.758  -0.725   1.937  0.00  0.00    -0.083 Cl
ATOM      4  C   LIG    1       -3.921  -0.847   0.260  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -4.511  -0.700  -1.010  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -3.756  -0.317  -2.117  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.394  -0.070  -1.981  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -4.769  -1.247   1.468  0.00  0.00    +0.107 C 
ATOM      9  C   LIG    1       -5.976  -2.115   1.123  0.00  0.00    +0.227 C 
ATOM     10  O   LIG    1       -5.871  -3.283   0.752  0.00  0.00    -0.275 OA
ATOM     11  N   LIG    1       -7.213  -1.519   1.178  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1       -7.991  -2.105   0.906  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1       -7.498  -0.186   1.321  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1       -8.633   0.241   1.124  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -6.341   0.724   1.646  0.00  0.00    +0.097 C 
ATOM     16  C   LIG    1       -5.208  -0.042   2.311  0.00  0.00    +0.027 C 
ENDBRANCH   4   8
BRANCH   1  20
ATOM     17  C   LIG    1        2.456   0.601  -0.535  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        1.994  -0.710  -0.649  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        0.619  -0.968  -0.712  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1       -0.315   0.076  -0.658  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1        0.159   1.389  -0.547  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        1.532   1.646  -0.485  0.00  0.00    +0.046 A 
BRANCH  17  23
ATOM     23  O   LIG    1        3.763   0.994  -0.465  0.00  0.00    -0.486 OA
BRANCH  23  24
ATOM     24  C   LIG    1        4.758  -0.037  -0.510  0.00  0.00    +0.286 C 
BRANCH  24  28
ATOM     25  C   LIG    1        9.601   0.040  -0.641  0.00  0.00    +0.172 C 
ATOM     26  N   LIG    1        8.265   0.557  -0.473  0.00  0.00    -0.274 N 
ATOM     27  N   LIG    1        7.212  -0.263  -0.640  0.00  0.00    -0.173 NA
ATOM     28  C   LIG    1        6.146   0.524  -0.419  0.00  0.00    +0.100 A 
ATOM     29  C   LIG    1        6.542   1.847  -0.104  0.00  0.00    +0.048 A 
ATOM     30  C   LIG    1        7.915   1.833  -0.148  0.00  0.00    +0.108 A 
ENDBRANCH  24  28
ENDBRANCH  23  24
ENDBRANCH  17  23
ENDBRANCH   1  20
TORSDOF 5