REMARK  Name = LIG001513
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.056   0.185  -0.365  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        0.993   1.117  -0.722  0.00  0.00    +0.254 C 
ATOM      3  O   LIG    1        0.831   2.194  -1.262  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.294   0.574  -0.336  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1        2.070  -0.647   0.272  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        3.104  -1.420   0.764  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        4.401  -0.917   0.617  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        4.629   0.328  -0.004  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        3.564   1.093  -0.490  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.627  -0.880   0.277  0.00  0.00    +0.254 C 
ATOM     11  O   LIG    1        0.093  -1.845   0.788  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -5.351   0.027   0.580  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -4.170   0.127   0.262  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -3.265   0.747   1.087  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -3.620   1.050   1.984  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -1.906   0.875   0.906  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -1.205   1.375   1.785  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -1.375   0.432  -0.461  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -2.183  -0.755  -0.980  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -3.649  -0.359  -1.071  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
TORSDOF 1