REMARK  Name = LIG001321
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.479   0.208  -0.107  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.788  -0.374   0.947  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.177  -1.215   1.733  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.454   0.236   0.967  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.414   1.225  -0.013  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -0.263   1.970  -0.209  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        0.855   1.707   0.605  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1        0.789   0.692   1.589  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -0.377  -0.053   1.781  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.735   1.310  -0.700  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -8.850  -0.837   0.550  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -7.658  -0.634   0.338  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -7.001   0.411   0.937  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -7.550   0.970   1.576  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.729   0.869   0.679  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -5.342   1.932   1.163  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -4.912   0.052  -0.334  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -5.379  -1.404  -0.353  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -6.868  -1.451  -0.658  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1        2.139   2.481   0.413  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.065   1.748  -0.423  0.00  0.00    -0.295 N 
ATOM     22  H   LIG    1        2.704   1.438  -1.312  0.00  0.00    +0.151 HD
ATOM     23  C   LIG    1        4.053   0.966   0.136  0.00  0.00    +0.304 C 
ATOM     24  N   LIG    1        4.762   0.304  -0.841  0.00  0.00    -0.268 N 
ATOM     25  H   LIG    1        4.607   0.617  -1.790  0.00  0.00    +0.156 HD
ATOM     26  O   LIG    1        4.253   0.911   1.341  0.00  0.00    -0.252 OA
BRANCH  24  27
ATOM     27  C   LIG    1        5.806  -0.635  -0.678  0.00  0.00    +0.053 A 
ATOM     28  C   LIG    1        6.490  -1.083  -1.825  0.00  0.00    +0.064 A 
ATOM     29 CL   LIG    1        6.069  -0.492  -3.399  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1        7.526  -2.015  -1.732  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1        7.886  -2.511  -0.484  0.00  0.00    +0.042 A 
ATOM     32 CL   LIG    1        9.160  -3.660  -0.356  0.00  0.00    -0.083 Cl
ATOM     33  C   LIG    1        7.219  -2.087   0.662  0.00  0.00    +0.022 A 
ATOM     34  C   LIG    1        6.181  -1.153   0.566  0.00  0.00    +0.026 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 4