REMARK  Name = LIG001296
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.893  -1.861   0.398  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -2.170  -1.304   0.318  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -2.691   0.036  -0.034  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -4.054   0.007   0.117  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -4.489  -1.229   0.479  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -5.627  -1.629   0.631  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1       -2.045   1.007  -0.379  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -3.300  -2.056   0.647  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -3.257  -3.374   1.064  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.005  -3.959   1.155  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -0.856  -3.215   0.827  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -4.916   1.110  -0.283  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -5.479   0.830  -1.680  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -4.953   0.071  -2.492  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -6.606   1.544  -2.022  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -6.973   1.372  -2.948  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -7.369   2.353  -1.216  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -8.392   2.884  -1.638  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -6.849   2.599   0.182  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -6.051   1.409   0.693  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  25
ATOM     21  C   LIG    1        4.112   0.488  -0.732  0.00  0.00    +0.403 C 
ATOM     22  N   LIG    1        2.880  -0.057  -0.411  0.00  0.00    -0.264 N 
ATOM     23  C   LIG    1        2.718  -1.006   0.695  0.00  0.00    +0.130 C 
ATOM     24  C   LIG    1        1.268  -1.097   1.211  0.00  0.00    +0.124 C 
ATOM     25  N   LIG    1        0.331  -1.282   0.079  0.00  0.00    -0.326 N 
ATOM     26  C   LIG    1        0.433  -0.188  -0.906  0.00  0.00    +0.124 C 
ATOM     27  C   LIG    1        1.866  -0.129  -1.468  0.00  0.00    +0.130 C 
ATOM     28  O   LIG    1        4.338   1.084  -1.777  0.00  0.00    -0.226 OA
BRANCH  21  29
ATOM     29  O   LIG    1        5.031   0.283   0.247  0.00  0.00    -0.445 OA
BRANCH  29  31
ATOM     30  C   LIG    1        6.422   2.306   0.034  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1        6.389   0.776   0.116  0.00  0.00    +0.107 C 
ATOM     32  C   LIG    1        7.109   0.121  -1.068  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1        7.086   0.341   1.414  0.00  0.00    +0.055 C 
ENDBRANCH  29  31
ENDBRANCH  21  29
ENDBRANCH   1  25
TORSDOF 4