REMARK  Name = LIG001878
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.006   0.439   0.074  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        0.828   1.296  -0.642  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        0.518   2.310  -1.237  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.187   0.751  -0.555  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        2.128  -0.451   0.147  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1        3.284  -1.172   0.364  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        4.495  -0.670  -0.129  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        4.535   0.545  -0.838  0.00  0.00    +0.002 A 
ATOM      9 CL   LIG    1        3.257  -2.659   1.222  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1        3.365   1.273  -1.059  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        0.720  -0.747   0.534  0.00  0.00    +0.146 C 
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -5.293  -0.962   0.102  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -4.181  -0.444   0.051  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -3.382  -0.593  -1.054  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -3.747  -1.222  -1.758  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -2.017  -0.416  -1.091  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -1.340  -0.991  -1.941  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -1.448   0.519  -0.011  0.00  0.00    +0.163 C 
ATOM     19  C   LIG    1       -2.128   0.212   1.320  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -3.630   0.402   1.175  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
TORSDOF 1