REMARK  Name = LIG001846
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.122  -0.790   2.430  0.00  0.00    +0.016 C 
ATOM      2  C   LIG    1       -2.918  -0.548   0.920  0.00  0.00    -0.008 C 
ATOM      3  C   LIG    1       -1.399  -0.541   0.507  0.00  0.00    +0.004 C 
ATOM      4  C   LIG    1       -0.622  -1.827   0.833  0.00  0.00    +0.005 C 
ATOM      5  C   LIG    1        0.834  -1.693   0.398  0.00  0.00    +0.015 C 
ATOM      6  C   LIG    1        1.631  -0.635   1.200  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1        0.672   0.481   1.808  0.00  0.00    +0.063 C 
ATOM      8 CL   LIG    1        0.117   0.105   3.484  0.00  0.00    -0.117 Cl
ATOM      9  C   LIG    1        1.594   1.717   1.889  0.00  0.00    +0.053 C 
ATOM     10  C   LIG    1        2.529   1.507   0.745  0.00  0.00    -0.003 C 
ATOM     11  C   LIG    1        2.570   0.229   0.323  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1        2.485  -1.338   2.286  0.00  0.00    +0.019 C 
ATOM     13  C   LIG    1       -0.577   0.744   0.880  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1       -1.443   1.950   1.313  0.00  0.00    +0.032 C 
ATOM     15  C   LIG    1       -2.824   1.946   0.741  0.00  0.00    -0.027 C 
ATOM     16  C   LIG    1       -3.517   0.811   0.556  0.00  0.00    -0.065 C 
ATOM     17  C   LIG    1       -4.905   0.809  -0.038  0.00  0.00    +0.062 C 
ATOM     18  C   LIG    1       -4.945  -0.031  -1.323  0.00  0.00    +0.119 C 
ATOM     19  C   LIG    1       -4.068  -1.290  -1.267  0.00  0.00    +0.032 C 
ATOM     20  C   LIG    1       -3.707  -1.671   0.169  0.00  0.00    +0.014 C 
ENDROOT
BRANCH  11  21
ATOM     21  N   LIG    1        3.384  -0.274  -0.720  0.00  0.00    -0.302 N 
ATOM     22  C   LIG    1        4.019   0.427  -1.755  0.00  0.00    +0.073 A 
ATOM     23  C   LIG    1        4.753  -0.533  -2.453  0.00  0.00    +0.089 A 
ATOM     24  C   LIG    1        5.535  -0.160  -3.558  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1        5.549   1.177  -3.962  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.785   2.123  -3.287  0.00  0.00    +0.002 A 
ATOM     27  N   LIG    1        4.566  -1.777  -1.932  0.00  0.00    -0.235 NA
ATOM     28  C   LIG    1        4.001   1.768  -2.181  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1        3.737  -1.598  -0.933  0.00  0.00    +0.205 A 
ENDBRANCH  11  21
BRANCH  18  30
ATOM     30  O   LIG    1       -4.538   0.762  -2.441  0.00  0.00    -0.391 OA
ATOM     31  H   LIG    1       -3.661   1.129  -2.225  0.00  0.00    +0.210 HD
ENDBRANCH  18  30
TORSDOF 2