REMARK  Name = LIG000969
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.150  -0.946  -0.452  0.00  0.00    -0.029 A 
ATOM      2  C   LIG    1       -1.070  -0.314   0.393  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -2.441  -0.400   0.120  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -2.925  -1.087  -0.980  0.00  0.00    +0.100 A 
ATOM      5  N   LIG    1       -4.289  -1.173  -1.279  0.00  0.00    -0.131 NA
ATOM      6  N   LIG    1       -5.128  -0.649  -0.517  0.00  0.00    -0.061 NA
ATOM      7  N   LIG    1       -4.756   0.020   0.616  0.00  0.00    -0.198 N 
ATOM      8  C   LIG    1       -2.004  -1.706  -1.831  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1       -3.439   0.232   0.978  0.00  0.00    +0.278 A 
ATOM     10  O   LIG    1       -3.082   0.901   1.943  0.00  0.00    -0.265 OA
ATOM     11  C   LIG    1       -0.630  -1.636  -1.575  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -5.823   0.622   1.416  0.00  0.00    +0.199 C 
ATOM     13  C   LIG    1       -7.052  -0.284   1.482  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1       -7.064  -1.349   2.098  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -8.142   0.096   0.733  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -8.926  -0.542   0.748  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -8.210   1.091  -0.209  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -9.187   1.197  -0.944  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -7.006   1.994  -0.336  0.00  0.00    +0.099 C 
ATOM     20  C   LIG    1       -6.194   2.030   0.948  0.00  0.00    +0.046 C 
ENDBRANCH   7  12
BRANCH   1  21
ATOM     21  C   LIG    1        1.328  -0.845  -0.190  0.00  0.00    +0.141 C 
BRANCH  21  25
ATOM     22  N   LIG    1        4.076  -0.015  -0.149  0.00  0.00    -0.269 N 
ATOM     23  H   LIG    1        3.656  -0.576   0.573  0.00  0.00    +0.156 HD
ATOM     24  C   LIG    1        3.213   0.649  -0.978  0.00  0.00    +0.304 C 
ATOM     25  N   LIG    1        1.903   0.283  -0.884  0.00  0.00    -0.295 N 
ATOM     26  H   LIG    1        1.325   0.777  -1.554  0.00  0.00    +0.151 HD
ATOM     27  O   LIG    1        3.502   1.524  -1.788  0.00  0.00    -0.252 OA
BRANCH  22  33
ATOM     28  C   LIG    1        9.796   0.318   0.239  0.00  0.00    +0.045 C 
ATOM     29  C   LIG    1        8.300   0.229   0.141  0.00  0.00    -0.032 A 
ATOM     30  C   LIG    1        7.538  -0.532   1.037  0.00  0.00    +0.046 A 
ATOM     31 CL   LIG    1        8.279  -1.425   2.319  0.00  0.00    -0.083 Cl
ATOM     32  C   LIG    1        6.145  -0.595   0.920  0.00  0.00    +0.043 A 
ATOM     33  C   LIG    1        5.481   0.105  -0.094  0.00  0.00    +0.036 A 
ATOM     34  C   LIG    1        6.236   0.860  -0.991  0.00  0.00    +0.024 A 
ATOM     35  C   LIG    1        7.630   0.923  -0.874  0.00  0.00    +0.006 A 
ENDBRANCH  22  33
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 4