REMARK  Name = LIG000931
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.015   0.560  -0.045  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -1.644  -0.632   0.552  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -2.357  -1.507   0.998  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -0.179  -0.686   0.518  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        0.280   0.435  -0.167  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        1.639   0.633  -0.354  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        2.547  -0.316   0.159  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1        2.043  -1.448   0.849  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        0.671  -1.643   1.033  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -0.875   1.260  -0.622  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -6.558  -1.655   0.314  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -5.615  -0.883   0.154  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -5.042  -0.733  -1.081  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -5.403  -1.343  -1.801  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -3.966   0.040  -1.436  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -3.476  -0.047  -2.562  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -3.382   0.959  -0.363  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -4.307   1.163   0.834  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -5.029  -0.090   1.295  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1        3.997  -0.138  -0.024  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1        4.777  -1.135  -0.633  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        6.153  -0.966  -0.809  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        6.773   0.204  -0.377  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.018   1.205   0.230  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.642   1.035   0.404  0.00  0.00    +0.008 A 
ENDBRANCH   7  20
TORSDOF 2