REMARK  Name = LIG000511
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.844  -0.985   0.063  0.00  0.00    +0.186 A 
ATOM      2  C   LIG    1        4.265  -2.079  -0.803  0.00  0.00    +0.293 A 
ATOM      3  O   LIG    1        4.958  -3.068  -1.052  0.00  0.00    -0.264 OA
ATOM      4  N   LIG    1        2.968  -1.915  -1.283  0.00  0.00    -0.308 N 
ATOM      5  C   LIG    1        2.406  -2.966  -2.117  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        2.191  -0.759  -0.982  0.00  0.00    +0.052 A 
ATOM      7  C   LIG    1        2.743   0.243  -0.177  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        1.996   1.392   0.137  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        0.682   1.560  -0.324  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        0.157   0.568  -1.152  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        0.892  -0.581  -1.470  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        4.102   0.099   0.340  0.00  0.00    +0.061 A 
ENDROOT
BRANCH   9  13
ATOM     13  N   LIG    1       -0.005   2.750  -0.016  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        0.473   3.322   0.673  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -1.403   3.001   0.043  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1       -1.843   4.307   0.207  0.00  0.00    +0.099 A 
ATOM     17 CL   LIG    1       -0.781   5.646   0.398  0.00  0.00    -0.078 Cl
ATOM     18  C   LIG    1       -3.202   4.485   0.226  0.00  0.00    +0.137 A 
ATOM     19  N   LIG    1       -4.087   3.479   0.099  0.00  0.00    -0.221 NA
ATOM     20  C   LIG    1       -3.605   2.235  -0.053  0.00  0.00    +0.220 A 
ATOM     21  N   LIG    1       -2.283   1.986  -0.091  0.00  0.00    -0.198 NA
BRANCH  20  22
ATOM     22  N   LIG    1       -4.506   1.165  -0.137  0.00  0.00    -0.299 N 
ATOM     23  C   LIG    1       -3.923  -0.060  -0.690  0.00  0.00    +0.111 C 
ATOM     24  C   LIG    1       -4.865  -1.258  -0.493  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1       -4.798  -1.792   0.939  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -6.292  -0.934  -0.954  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1       -6.840   0.416  -0.473  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1       -7.360   0.380   0.966  0.00  0.00    +0.009 C 
ATOM     29  C   LIG    1       -5.817   1.544  -0.673  0.00  0.00    +0.111 C 
ENDBRANCH  20  22
ENDBRANCH  13  15
ENDBRANCH   9  13
BRANCH   1  30
ATOM     30  O   LIG    1        6.133  -1.214   0.503  0.00  0.00    -0.477 OA
BRANCH  30  31
ATOM     31  C   LIG    1        6.773  -0.226   1.301  0.00  0.00    +0.324 C 
BRANCH  31  35
ATOM     32  C   LIG    1        9.914  -2.379   1.267  0.00  0.00    +0.128 C 
ATOM     33  N   LIG    1        8.649  -1.762   0.969  0.00  0.00    -0.316 N 
ATOM     34  H   LIG    1        7.953  -2.285   0.441  0.00  0.00    +0.148 HD
ATOM     35  C   LIG    1        8.191  -0.666   1.668  0.00  0.00    +0.250 C 
ATOM     36  O   LIG    1        8.860  -0.064   2.504  0.00  0.00    -0.272 OA
ENDBRANCH  31  35
ENDBRANCH  30  31
ENDBRANCH   1  30
TORSDOF 6