REMARK  Name = LIG001531
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.684   0.000  -0.622  0.00  0.00    -0.198 N 
ATOM      2  C   LIG    1       -2.679   0.895  -0.939  0.00  0.00    +0.278 A 
ATOM      3  O   LIG    1       -2.682   1.622  -1.929  0.00  0.00    -0.265 OA
ATOM      4  C   LIG    1       -1.563   0.948  -0.001  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1       -1.665   0.139   1.118  0.00  0.00    +0.100 A 
ATOM      6  C   LIG    1       -0.613   0.151   2.039  0.00  0.00    +0.031 A 
ATOM      7  C   LIG    1        0.510   0.961   1.835  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1        0.599   1.785   0.704  0.00  0.00    -0.029 A 
ATOM      9  N   LIG    1       -2.773  -0.678   1.364  0.00  0.00    -0.131 NA
ATOM     10  C   LIG    1       -0.449   1.768  -0.223  0.00  0.00    +0.020 A 
ATOM     11  N   LIG    1       -3.705  -0.729   0.535  0.00  0.00    -0.061 NA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -8.131  -1.437   0.660  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -7.203  -1.004  -0.018  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -6.526  -1.821  -0.887  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.825  -2.787  -0.900  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -5.362  -1.550  -1.568  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1       -4.742  -2.457  -2.122  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -4.846  -0.113  -1.503  0.00  0.00    +0.199 C 
ATOM     19  C   LIG    1       -5.965   0.864  -1.140  0.00  0.00    +0.046 C 
ATOM     20  C   LIG    1       -6.711   0.417   0.107  0.00  0.00    +0.099 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  C   LIG    1        1.822   2.636   0.471  0.00  0.00    +0.141 C 
BRANCH  21  22
ATOM     22  N   LIG    1        2.854   1.889  -0.211  0.00  0.00    -0.295 N 
ATOM     23  H   LIG    1        2.601   1.497  -1.105  0.00  0.00    +0.151 HD
ATOM     24  C   LIG    1        3.828   1.218   0.499  0.00  0.00    +0.304 C 
ATOM     25  N   LIG    1        4.659   0.523  -0.349  0.00  0.00    -0.268 N 
ATOM     26  H   LIG    1        4.575   0.745  -1.333  0.00  0.00    +0.156 HD
ATOM     27  O   LIG    1        3.914   1.276   1.718  0.00  0.00    -0.252 OA
BRANCH  25  28
ATOM     28  C   LIG    1        5.736  -0.334  -0.016  0.00  0.00    +0.055 A 
ATOM     29  C   LIG    1        6.550  -0.829  -1.059  0.00  0.00    +0.080 A 
ATOM     30 CL   LIG    1        6.200  -0.360  -2.699  0.00  0.00    -0.080 Cl
ATOM     31  C   LIG    1        7.623  -1.685  -0.770  0.00  0.00    +0.061 A 
ATOM     32 CL   LIG    1        8.660  -2.325  -1.999  0.00  0.00    -0.082 Cl
ATOM     33  C   LIG    1        7.889  -2.054   0.549  0.00  0.00    +0.021 A 
ATOM     34  C   LIG    1        7.086  -1.573   1.581  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1        6.016  -0.720   1.299  0.00  0.00    +0.025 A 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   8  21
TORSDOF 4