REMARK  Name = LIG000724
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.406   0.781   1.278  0.00  0.00    +0.126 A 
ATOM      2  C   LIG    1        3.638   0.437   0.749  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        4.274  -0.905   0.627  0.00  0.00    +0.148 C 
ATOM      4  N   LIG    1        5.578  -0.594   0.056  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1        5.694   0.745  -0.273  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        6.593   1.299  -0.872  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        4.478   1.408   0.207  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        4.139   2.745   0.157  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        2.899   3.105   0.682  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        2.040   2.132   1.236  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        6.500  -1.651  -0.342  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        6.489  -1.820  -1.861  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        5.480  -2.166  -2.478  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        7.647  -1.519  -2.532  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        7.613  -1.619  -3.536  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        8.806  -0.982  -2.035  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        9.748  -0.732  -2.784  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        8.864  -0.698  -0.555  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        7.905  -1.557   0.247  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  20
ATOM     20  O   LIG    1        1.665  -0.252   1.770  0.00  0.00    -0.487 OA
BRANCH  20  21
ATOM     21  C   LIG    1        0.446   0.048   2.459  0.00  0.00    +0.264 C 
BRANCH  21  25
ATOM     22  C   LIG    1       -2.984   0.637  -0.129  0.00  0.00    -0.033 A 
ATOM     23  C   LIG    1       -1.945  -0.218  -0.516  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -0.836  -0.409   0.312  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -0.733   0.265   1.536  0.00  0.00    -0.010 A 
ATOM     26  C   LIG    1       -1.776   1.114   1.928  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -2.885   1.305   1.100  0.00  0.00    +0.005 A 
BRANCH  22  28
ATOM     28  C   LIG    1       -4.174   0.865  -1.040  0.00  0.00    +0.119 C 
BRANCH  28  33
ATOM     29  C   LIG    1       -9.107  -1.243   0.035  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1       -8.104  -0.652  -0.955  0.00  0.00    -0.012 C 
ATOM     31  C   LIG    1       -6.759  -1.395  -0.914  0.00  0.00    +0.018 C 
ATOM     32  C   LIG    1       -5.750  -0.702   0.003  0.00  0.00    +0.085 C 
ATOM     33  N   LIG    1       -5.471   0.696  -0.366  0.00  0.00    -0.298 NA
ATOM     34  C   LIG    1       -6.543   1.323  -1.152  0.00  0.00    +0.085 C 
ATOM     35  C   LIG    1       -7.924   0.853  -0.702  0.00  0.00    +0.018 C 
ENDBRANCH  28  33
ENDBRANCH  22  28
ENDBRANCH  21  25
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6