REMARK  Name = LIG000147
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.180   1.222  -0.938  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        2.355   0.447  -0.172  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1        2.342  -0.762  -0.056  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        1.425   1.354   0.498  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        1.732   2.638   0.092  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        1.028   3.737   0.540  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -0.025   3.503   1.432  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1       -0.347   2.190   1.861  0.00  0.00    -0.030 A 
ATOM      9  C   LIG    1        0.392   1.094   1.377  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1        2.863   2.550  -0.828  0.00  0.00    +0.254 C 
ATOM     11  O   LIG    1        3.396   3.512  -1.347  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        5.020  -3.355  -2.121  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        4.832  -2.146  -2.007  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        4.146  -1.452  -2.969  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        3.727  -2.033  -3.683  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        3.636  -0.183  -2.870  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        2.709   0.175  -3.596  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        4.242   0.724  -1.800  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        5.436   0.109  -1.072  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        5.288  -1.375  -0.793  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  C   LIG    1       -1.506   1.962   2.804  0.00  0.00    +0.141 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -2.703   1.601   2.077  0.00  0.00    -0.295 N 
ATOM     23  H   LIG    1       -3.004   2.246   1.362  0.00  0.00    +0.151 HD
ATOM     24  C   LIG    1       -3.036   0.277   1.881  0.00  0.00    +0.304 C 
ATOM     25  N   LIG    1       -4.163   0.167   1.102  0.00  0.00    -0.268 N 
ATOM     26  H   LIG    1       -4.697   1.015   0.965  0.00  0.00    +0.156 HD
ATOM     27  O   LIG    1       -2.393  -0.642   2.370  0.00  0.00    -0.252 OA
BRANCH  25  28
ATOM     28  C   LIG    1       -4.776  -1.011   0.614  0.00  0.00    +0.053 A 
ATOM     29  C   LIG    1       -6.016  -0.899  -0.044  0.00  0.00    +0.062 A 
ATOM     30 CL   LIG    1       -6.784   0.642  -0.241  0.00  0.00    -0.082 Cl
ATOM     31  C   LIG    1       -6.664  -2.026  -0.555  0.00  0.00    +0.022 A 
ATOM     32  C   LIG    1       -6.079  -3.283  -0.421  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -4.849  -3.407   0.222  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1       -4.199  -2.278   0.734  0.00  0.00    +0.025 A 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   8  21
TORSDOF 4