REMARK  Name = LIG001831
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.185  -1.688  -1.742  0.00  0.00    +0.025 C 
ATOM      2  C   LIG    1       -1.770  -1.224  -0.346  0.00  0.00    +0.068 C 
ATOM      3  C   LIG    1       -2.076   0.239  -0.127  0.00  0.00    -0.012 A 
ATOM      4  C   LIG    1       -0.889   0.944   0.087  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -0.900   2.307   0.327  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -2.135   2.964   0.345  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -3.327   2.257   0.126  0.00  0.00    +0.000 A 
ATOM      8  N   LIG    1        0.199   0.063   0.012  0.00  0.00    -0.259 N 
ATOM      9  C   LIG    1       -3.305   0.882  -0.112  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -0.231  -1.248  -0.229  0.00  0.00    +0.230 C 
ATOM     11  O   LIG    1        0.481  -2.236  -0.331  0.00  0.00    -0.274 OA
ATOM     12  C   LIG    1       -2.380  -2.103   0.745  0.00  0.00    +0.025 C 
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1        1.591   0.422   0.220  0.00  0.00    +0.168 C 
ATOM     14  C   LIG    1        2.106  -0.190   1.531  0.00  0.00    +0.240 C 
ATOM     15  O   LIG    1        1.403  -0.376   2.523  0.00  0.00    -0.273 OA
ATOM     16  N   LIG    1        3.462  -0.427   1.593  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1        3.802  -0.805   2.466  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1        4.413  -0.151   0.643  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1        5.607  -0.320   0.875  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        3.923   0.449  -0.653  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1        2.493   0.029  -0.952  0.00  0.00    +0.041 C 
ENDBRANCH   8  13
TORSDOF 1