REMARK  Name = LIG001242
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.268   0.795   0.100  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.665  -0.454   0.589  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -2.028  -0.790   0.515  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -2.983   0.057  -0.033  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1       -4.214  -0.652   0.075  0.00  0.00    +0.083 A 
ATOM      6  N   LIG    1       -4.042  -1.852   0.649  0.00  0.00    -0.175 NA
ATOM      7  C   LIG    1       -2.577   1.309  -0.527  0.00  0.00    +0.013 A 
ATOM      8  N   LIG    1       -2.722  -1.903   0.915  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -2.169  -3.068   1.563  0.00  0.00    +0.173 C 
ATOM     10  C   LIG    1       -1.221   1.661  -0.453  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.570  -0.205  -0.394  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1       -6.201   0.758   0.609  0.00  0.00    +0.228 C 
ATOM     13  O   LIG    1       -5.580   1.649   1.188  0.00  0.00    -0.275 OA
ATOM     14  N   LIG    1       -7.566   0.679   0.766  0.00  0.00    -0.256 N 
ATOM     15  H   LIG    1       -7.966   1.355   1.403  0.00  0.00    +0.157 HD
ATOM     16  C   LIG    1       -8.459   0.070  -0.077  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -9.658   0.327  -0.024  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -7.875  -0.841  -1.127  0.00  0.00    +0.097 C 
ATOM     19  C   LIG    1       -6.521  -1.373  -0.688  0.00  0.00    +0.028 C 
ENDBRANCH   5  11
BRANCH   1  23
ATOM     20  N   LIG    1        3.320   1.325   0.442  0.00  0.00    -0.293 N 
ATOM     21  H   LIG    1        3.313   1.838  -0.429  0.00  0.00    +0.151 HD
ATOM     22  C   LIG    1        2.153   0.629   0.707  0.00  0.00    +0.304 C 
ATOM     23  N   LIG    1        1.069   1.244   0.117  0.00  0.00    -0.269 N 
ATOM     24  H   LIG    1        1.228   2.180  -0.223  0.00  0.00    +0.156 HD
ATOM     25  O   LIG    1        2.147  -0.386   1.389  0.00  0.00    -0.252 OA
BRANCH  20  32
ATOM     26  C   LIG    1        9.544   1.308  -1.640  0.00  0.00    +0.129 C 
ATOM     27  N   LIG    1        8.367   1.364  -0.811  0.00  0.00    -0.302 N 
ATOM     28  H   LIG    1        8.458   1.824   0.082  0.00  0.00    +0.150 HD
ATOM     29  C   LIG    1        7.486   0.309  -0.808  0.00  0.00    +0.302 C 
ATOM     30  N   LIG    1        6.474   0.452   0.107  0.00  0.00    -0.282 N 
ATOM     31  C   LIG    1        5.237  -0.324   0.122  0.00  0.00    +0.133 C 
ATOM     32  C   LIG    1        4.622   0.817   0.950  0.00  0.00    +0.109 C 
ATOM     33  C   LIG    1        5.839   1.677   0.573  0.00  0.00    +0.133 C 
ATOM     34  O   LIG    1        7.588  -0.661  -1.550  0.00  0.00    -0.253 OA
ENDBRANCH  20  32
ENDBRANCH   1  23
TORSDOF 3