REMARK  Name = LIG001091
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.067  -0.411  -0.015  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        4.124   0.469  -1.087  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        5.100   0.846  -1.704  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.748   0.904  -1.351  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        1.922   0.344  -0.382  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        0.561   0.596  -0.392  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        0.030   1.427  -1.397  0.00  0.00    -0.044 A 
ATOM      8  C   LIG    1        0.898   1.983  -2.370  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        2.271   1.726  -2.352  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        2.734  -0.466   0.571  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        9.159  -1.019   2.000  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        8.019  -0.958   1.548  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        7.173   0.063   1.899  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        7.557   0.764   2.518  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        5.834   0.191   1.606  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        5.166   1.077   2.137  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        5.234  -0.902   0.708  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        6.309  -1.506  -0.195  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        7.446  -2.040   0.662  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1       -1.459   1.737  -1.468  0.00  0.00    +0.021 C 
ATOM     21  C   LIG    1       -1.961   2.474  -0.215  0.00  0.00    +0.023 C 
ATOM     22  C   LIG    1       -3.474   2.329  -0.088  0.00  0.00    +0.085 C 
ATOM     23  N   LIG    1       -3.870   0.934   0.146  0.00  0.00    -0.298 NA
ATOM     24  C   LIG    1       -3.041  -0.053  -0.560  0.00  0.00    +0.085 C 
ATOM     25  C   LIG    1       -2.313   0.495  -1.788  0.00  0.00    +0.023 C 
BRANCH  23  26
ATOM     26  C   LIG    1       -5.311   0.757  -0.088  0.00  0.00    +0.119 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.874  -0.504   0.535  0.00  0.00    -0.033 A 
ATOM     28  C   LIG    1       -5.674  -0.780   1.896  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -6.212  -1.931   2.475  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.961  -2.815   1.702  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.174  -2.549   0.350  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.637  -1.399  -0.231  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH   7  20
TORSDOF 4