REMARK  Name = LIG001081
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        5.139  -0.298   0.001  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1        4.962   0.333   1.225  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        5.808   0.775   1.978  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        3.516   0.399   1.464  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        2.832   0.884   2.573  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1        1.434   0.845   2.549  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        0.791   0.320   1.424  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -0.671   0.218   1.119  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1       -1.522  -0.353   2.256  0.00  0.00    +0.030 C 
ATOM     10  C   LIG    1       -2.986  -0.532   1.830  0.00  0.00    +0.085 C 
ATOM     11  N   LIG    1       -3.409   0.415   0.785  0.00  0.00    -0.302 NA
ATOM     12  C   LIG    1       -2.747   1.713   0.938  0.00  0.00    +0.085 C 
ATOM     13  C   LIG    1       -1.239   1.586   0.677  0.00  0.00    +0.030 C 
ATOM     14  C   LIG    1       -0.572  -0.764  -0.079  0.00  0.00    +0.240 C 
ATOM     15  O   LIG    1        0.741  -0.638  -0.683  0.00  0.00    -0.490 OA
ATOM     16  C   LIG    1        1.513  -0.163   0.337  0.00  0.00    +0.130 A 
ATOM     17  C   LIG    1        2.878  -0.119   0.341  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.871  -0.522  -0.684  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1  25
ATOM     19  O   LIG    1       10.307   0.616  -1.674  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        9.165   0.337  -1.320  0.00  0.00    +0.219 C 
ATOM     21  N   LIG    1        8.127   1.208  -1.532  0.00  0.00    -0.255 N 
ATOM     22  H   LIG    1        8.369   2.092  -1.959  0.00  0.00    +0.158 HD
ATOM     23  C   LIG    1        6.784   0.995  -1.317  0.00  0.00    +0.240 C 
ATOM     24  O   LIG    1        5.957   1.823  -1.694  0.00  0.00    -0.273 OA
ATOM     25  C   LIG    1        6.409  -0.368  -0.713  0.00  0.00    +0.163 C 
ATOM     26  C   LIG    1        7.558  -0.915   0.133  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1        8.814  -1.004  -0.720  0.00  0.00    +0.098 C 
ENDBRANCH   1  25
BRANCH  11  28
ATOM     28  C   LIG    1       -4.872   0.564   0.724  0.00  0.00    +0.088 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.629  -0.731   0.325  0.00  0.00    +0.003 C 
ATOM     30  C   LIG    1       -7.153  -0.475   0.284  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -7.750  -0.438  -1.125  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1       -6.822   0.245  -2.120  0.00  0.00    +0.000 C 
ATOM     33  C   LIG    1       -5.461  -0.445  -2.212  0.00  0.00    +0.000 C 
ATOM     34  C   LIG    1       -5.140  -1.326  -1.004  0.00  0.00    +0.005 C 
ENDBRANCH  28  29
ENDBRANCH  11  28
TORSDOF 3