REMARK  Name = LIG000517
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.980  -0.857   0.277  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -0.760  -0.290   0.011  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1       -0.488   0.891   0.105  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        0.143  -1.371  -0.434  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1       -0.642  -2.524  -0.462  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -0.170  -3.763  -0.851  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        1.162  -3.835  -1.232  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        1.969  -2.680  -1.208  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        1.487  -1.413  -0.799  0.00  0.00    +0.043 A 
ATOM     10  C   LIG    1       -1.992  -2.183  -0.032  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1       -2.915  -2.973   0.030  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -5.636   3.200   0.870  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -4.895   2.223   0.809  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -4.552   1.669  -0.399  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -4.899   2.147  -1.220  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -3.697   0.615  -0.635  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -3.433   0.274  -1.786  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -3.190  -0.119   0.611  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -3.032   0.857   1.774  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -4.369   1.531   2.046  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   9  21
ATOM     21  N   LIG    1        2.372  -0.319  -0.819  0.00  0.00    -0.328 N 
ATOM     22  C   LIG    1        3.817  -0.350  -0.787  0.00  0.00    +0.118 C 
ATOM     23  C   LIG    1        3.748   1.097  -0.444  0.00  0.00    +0.049 C 
ATOM     24  C   LIG    1        4.671   1.679   0.566  0.00  0.00    +0.172 C 
ATOM     25  O   LIG    1        5.239   2.562  -0.448  0.00  0.00    -0.378 OA
ATOM     26  C   LIG    1        4.245   2.111  -1.419  0.00  0.00    +0.172 C 
ATOM     27  C   LIG    1        2.290   0.966  -0.171  0.00  0.00    +0.118 C 
ENDBRANCH   9  21
TORSDOF 2