REMARK  Name = LIG000602
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.398  -1.744  -0.918  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1        1.015  -0.488  -1.076  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1        2.316  -0.328  -0.634  0.00  0.00    -0.018 A 
ATOM      4  C   LIG    1        3.208   0.865  -0.701  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1        4.397   0.418   0.012  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        4.337  -0.934   0.319  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1        5.206  -1.644   0.787  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.992  -1.393  -0.045  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        2.422  -2.640   0.124  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        1.108  -2.810  -0.317  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        5.625   1.205   0.005  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        6.501   0.859  -1.209  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        6.047   0.495  -2.292  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        7.850   1.096  -1.066  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        8.420   0.899  -1.877  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        8.499   1.659   0.004  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        9.693   1.936  -0.055  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        7.652   2.000   1.208  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        6.433   1.097   1.299  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1       -1.028  -1.938  -1.378  0.00  0.00    +0.144 C 
BRANCH  20  24
ATOM     21  N   LIG    1       -4.048  -0.531   0.088  0.00  0.00    -0.254 N 
ATOM     22  C   LIG    1       -3.227  -0.833  -1.024  0.00  0.00    +0.309 C 
ATOM     23  O   LIG    1       -3.495  -0.768  -2.213  0.00  0.00    -0.252 OA
ATOM     24  N   LIG    1       -1.981  -1.254  -0.526  0.00  0.00    -0.279 N 
ATOM     25  C   LIG    1       -2.081  -1.520   0.887  0.00  0.00    +0.129 C 
ATOM     26  C   LIG    1       -3.298  -0.719   1.312  0.00  0.00    +0.134 C 
BRANCH  21  32
ATOM     27  C   LIG    1       -9.421   1.572   0.071  0.00  0.00    +0.045 C 
ATOM     28  C   LIG    1       -8.024   1.022   0.047  0.00  0.00    -0.032 A 
ATOM     29  C   LIG    1       -7.396   0.632  -1.142  0.00  0.00    +0.046 A 
ATOM     30 CL   LIG    1       -8.206   0.759  -2.665  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1       -6.090   0.122  -1.134  0.00  0.00    +0.043 A 
ATOM     32  C   LIG    1       -5.371  -0.014   0.059  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1       -6.006   0.379   1.247  0.00  0.00    +0.024 A 
ATOM     34  C   LIG    1       -7.311   0.889   1.243  0.00  0.00    +0.006 A 
ENDBRANCH  21  32
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 4