REMARK  Name = LIG000944
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.526  -0.612   1.223  0.00  0.00    +0.024 A 
ATOM      2  C   LIG    1       -0.306  -0.117   1.720  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        0.830  -0.269   0.945  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        2.230   0.176   1.206  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1        2.953  -0.352   0.056  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        2.098  -0.907  -0.885  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1        2.357  -1.307  -2.003  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        0.756  -0.905  -0.292  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -0.422  -1.414  -0.804  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -1.577  -1.271  -0.029  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        4.328   0.051  -0.221  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        4.368   1.333  -1.066  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        3.501   2.206  -1.016  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        5.504   1.524  -1.819  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        5.544   2.383  -2.350  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        6.622   0.731  -1.874  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        7.617   1.085  -2.501  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        6.595  -0.540  -1.057  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        5.173  -1.045  -0.870  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1       -2.749  -0.445   2.061  0.00  0.00    +0.213 C 
ATOM     21  O   LIG    1       -2.604  -0.426   3.282  0.00  0.00    -0.285 OA
BRANCH  20  23
ATOM     22  C   LIG    1       -5.192  -1.022   1.731  0.00  0.00    +0.146 A 
ATOM     23  C   LIG    1       -4.037  -0.340   1.428  0.00  0.00    +0.135 A 
ATOM     24  N   LIG    1       -4.411   0.504   0.398  0.00  0.00    -0.295 N 
ATOM     25  C   LIG    1       -5.746   0.211   0.108  0.00  0.00    +0.140 A 
ATOM     26  C   LIG    1       -6.361   0.933  -0.954  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1       -5.664   1.875  -1.616  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -4.287   2.184  -1.268  0.00  0.00    +0.018 A 
ATOM     29  C   LIG    1       -3.694   1.498  -0.277  0.00  0.00    +0.093 A 
ATOM     30  N   LIG    1       -6.227  -0.709   0.915  0.00  0.00    -0.213 NA
BRANCH  22  31
ATOM     31  N   LIG    1       -5.357  -1.935   2.692  0.00  0.00    -0.341 N 
ATOM     32  H   LIG    1       -4.753  -1.891   3.509  0.00  0.00    +0.144 HD
ATOM     33  H   LIG    1       -6.319  -2.155   2.933  0.00  0.00    +0.144 HD
ENDBRANCH  22  31
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 4