REMARK  Name = LIG000100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.003  -1.095  -0.349  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.181  -2.214  -0.446  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.476  -3.385  -0.305  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.837  -1.736  -0.783  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.908  -0.364  -1.000  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -0.774   0.350  -1.346  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        0.445  -0.341  -1.471  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1        0.489  -1.739  -1.246  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -0.662  -2.451  -0.900  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -3.317   0.101  -0.837  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -6.387   0.646   3.294  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -6.233   0.030   2.243  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -6.518   0.620   1.037  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -6.864   1.568   1.087  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -6.135   0.190  -0.211  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -6.204   0.954  -1.173  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.467  -1.194  -0.293  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -5.985  -2.044   0.874  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -5.668  -1.368   2.200  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1        1.706   0.396  -1.847  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.668   0.357  -0.767  0.00  0.00    -0.295 N 
ATOM     22  H   LIG    1        2.291   0.500   0.158  0.00  0.00    +0.151 HD
ATOM     23  C   LIG    1        3.924   0.891  -0.973  0.00  0.00    +0.304 C 
ATOM     24  N   LIG    1        4.678   0.811   0.177  0.00  0.00    -0.269 N 
ATOM     25  H   LIG    1        4.312   0.188   0.882  0.00  0.00    +0.156 HD
ATOM     26  O   LIG    1        4.273   1.345  -2.053  0.00  0.00    -0.252 OA
BRANCH  24  27
ATOM     27  C   LIG    1        5.973   1.322   0.393  0.00  0.00    +0.036 A 
ATOM     28  C   LIG    1        6.614   0.964   1.585  0.00  0.00    +0.043 A 
ATOM     29  C   LIG    1        7.895   1.444   1.866  0.00  0.00    +0.043 A 
ATOM     30 CL   LIG    1        8.671   0.990   3.334  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1        8.548   2.287   0.972  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        7.914   2.651  -0.214  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1        6.631   2.171  -0.501  0.00  0.00    +0.023 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 4