REMARK  Name = LIG000949
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.556  -0.555   0.233  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        0.274   0.402  -0.289  0.00  0.00    +0.258 C 
ATOM      3  O   LIG    1       -0.022   1.474  -0.778  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        1.637  -0.093  -0.118  0.00  0.00    +0.095 A 
ATOM      5  C   LIG    1        1.563  -1.308   0.547  0.00  0.00    +0.056 A 
ATOM      6  C   LIG    1        2.688  -2.050   0.885  0.00  0.00    +0.056 A 
ATOM      7  C   LIG    1        3.927  -1.524   0.522  0.00  0.00    +0.169 A 
ATOM      8  C   LIG    1        3.991  -0.304  -0.146  0.00  0.00    +0.202 A 
ATOM      9  O   LIG    1        5.126   0.326  -0.559  0.00  0.00    -0.450 OA
ATOM     10  C   LIG    1        4.581   1.520  -1.159  0.00  0.00    +0.467 C 
ATOM     11  O   LIG    1        3.140   1.567  -1.114  0.00  0.00    -0.452 OA
ATOM     12  F   LIG    1        5.045  -2.198   0.819  0.00  0.00    -0.202 F 
ATOM     13  C   LIG    1        2.858   0.412  -0.466  0.00  0.00    +0.182 A 
ATOM     14  C   LIG    1        0.151  -1.585   0.792  0.00  0.00    +0.255 C 
ATOM     15  O   LIG    1       -0.259  -2.565   1.383  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  22
ATOM     16  O   LIG    1       -5.546   1.670   0.789  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -4.489   1.060   0.656  0.00  0.00    +0.219 C 
ATOM     18  N   LIG    1       -3.503   1.137   1.609  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1       -3.682   1.768   2.378  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1       -2.249   0.569   1.574  0.00  0.00    +0.240 C 
ATOM     21  O   LIG    1       -1.433   0.801   2.464  0.00  0.00    -0.273 OA
ATOM     22  C   LIG    1       -1.992  -0.402   0.416  0.00  0.00    +0.171 C 
ATOM     23  C   LIG    1       -2.743   0.056  -0.832  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -4.229   0.143  -0.517  0.00  0.00    +0.098 C 
ENDBRANCH   1  22
TORSDOF 1