REMARK  Name = LIG001802
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.071  -0.834   0.577  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.037   0.036   0.207  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -1.273  -0.338   0.469  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -2.543   0.383   0.162  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -3.552  -0.486   0.757  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -3.005  -1.669   1.234  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -3.587  -2.633   1.693  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.551  -1.552   1.089  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -0.561  -2.435   1.466  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        0.762  -2.064   1.205  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.981  -0.341   0.513  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -5.359  -0.671  -0.942  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -4.613  -1.223  -1.747  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.630  -0.299  -1.317  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.867  -0.506  -2.278  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.387   0.688  -0.738  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -8.339   1.186  -1.331  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -7.001   1.101   0.663  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -5.493   1.055   0.855  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  21
ATOM     20  C   LIG    1        2.981   0.544  -0.275  0.00  0.00    +0.248 C 
ATOM     21  N   LIG    1        2.438  -0.555   0.366  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1        3.083  -1.277   0.661  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        2.368   1.450  -0.827  0.00  0.00    -0.270 OA
BRANCH  20  28
ATOM     24  C   LIG    1        8.772   0.700  -0.528  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1        7.274   0.681  -0.441  0.00  0.00    -0.050 A 
ATOM     26  C   LIG    1        6.637   0.180   0.702  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        5.242   0.135   0.775  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        4.471   0.575  -0.308  0.00  0.00    +0.037 A 
ATOM     29  C   LIG    1        5.103   1.081  -1.449  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        6.497   1.123  -1.519  0.00  0.00    +0.004 A 
ENDBRANCH  20  28
ENDBRANCH   1  21
TORSDOF 3