REMARK  Name = LIG001089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.354  -0.056   0.108  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -2.937   1.085   0.510  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -2.050   1.975   0.977  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1       -0.679   1.818   1.061  0.00  0.00    +0.148 A 
ATOM      5  N   LIG    1       -0.085   2.939   1.604  0.00  0.00    -0.231 NA
ATOM      6  C   LIG    1       -1.084   3.766   1.836  0.00  0.00    +0.201 A 
ATOM      7  C   LIG    1       -0.156   0.595   0.614  0.00  0.00    +0.152 A 
ATOM      8  N   LIG    1       -2.292   3.228   1.473  0.00  0.00    -0.312 N 
ATOM      9  N   LIG    1       -1.034  -0.329   0.141  0.00  0.00    -0.197 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -3.597   3.862   1.595  0.00  0.00    +0.084 C 
ATOM     11  C   LIG    1       -3.950   4.148   3.055  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1       -3.690   5.127   0.742  0.00  0.00    +0.030 C 
ENDBRANCH   8  10
BRANCH   1  13
ATOM     13  N   LIG    1       -3.241  -1.016  -0.376  0.00  0.00    -0.308 N 
ATOM     14  H   LIG    1       -4.090  -0.495  -0.578  0.00  0.00    +0.149 HD
BRANCH  13  15
ATOM     15  CA  LIG    1       -2.732  -1.833  -1.491  0.00  0.00    +0.098 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -3.547  -2.943  -3.658  0.00  0.00    +0.006 C 
ATOM     17  C   LIG    1       -3.931  -2.168  -2.405  0.00  0.00    +0.021 C 
ENDBRANCH  15  17
BRANCH  15  18
ATOM     18  C   LIG    1       -2.067  -3.104  -0.915  0.00  0.00    +0.178 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -2.987  -3.813  -0.082  0.00  0.00    -0.393 OA
ATOM     20  H   LIG    1       -3.366  -3.121   0.497  0.00  0.00    +0.209 HD
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   7  21
ATOM     21  N   LIG    1        1.223   0.336   0.638  0.00  0.00    -0.327 N 
ATOM     22  H   LIG    1        1.667   1.022   1.249  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.570  -1.050   0.911  0.00  0.00    +0.103 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.090  -1.219   0.906  0.00  0.00    +0.023 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.687  -1.019  -0.489  0.00  0.00    +0.037 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.181  -1.236  -0.487  0.00  0.00    -0.046 A 
ATOM     27  C   LIG    1        6.051  -0.171  -0.208  0.00  0.00    +0.025 A 
ATOM     28  C   LIG    1        7.436  -0.369  -0.187  0.00  0.00    +0.060 A 
ATOM     29 CL   LIG    1        8.438   0.994   0.163  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1        7.962  -1.640  -0.442  0.00  0.00    +0.059 A 
ATOM     31 CL   LIG    1        9.659  -1.962  -0.432  0.00  0.00    -0.082 Cl
ATOM     32  C   LIG    1        7.099  -2.706  -0.715  0.00  0.00    +0.022 A 
ATOM     33  C   LIG    1        5.717  -2.505  -0.735  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   7  21
TORSDOF 11