REMARK  Name = LIG001122
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.939   1.278  -0.740  0.00  0.00    +0.248 C 
ATOM      2  C   LIG    1       -0.212   0.272  -0.621  0.00  0.00    +0.167 C 
ATOM      3  C   LIG    1       -0.997  -0.114  -1.876  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1       -2.328  -0.797  -1.778  0.00  0.00    +0.043 C 
ATOM      5  C   LIG    1       -3.018  -0.543  -0.424  0.00  0.00    +0.030 C 
ATOM      6  C   LIG    1       -2.100  -0.906   0.818  0.00  0.00    +0.009 C 
ATOM      7  C   LIG    1       -1.591  -2.373   0.788  0.00  0.00    +0.015 C 
ATOM      8  C   LIG    1       -2.968  -0.738   2.111  0.00  0.00    +0.015 C 
ATOM      9  C   LIG    1       -4.218  -1.637   2.145  0.00  0.00    +0.043 C 
ATOM     10  C   LIG    1       -4.872  -1.662   0.818  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -6.216  -2.158   0.532  0.00  0.00    +0.336 C 
ATOM     12  O   LIG    1       -6.481  -1.950  -0.789  0.00  0.00    -0.457 OA
ATOM     13  C   LIG    1       -5.353  -1.331  -1.414  0.00  0.00    +0.264 C 
ATOM     14  O   LIG    1       -6.971  -2.663   1.341  0.00  0.00    -0.245 OA
ATOM     15  C   LIG    1       -4.372  -1.188  -0.322  0.00  0.00    -0.019 C 
ATOM     16  O   LIG    1        0.066  -0.923  -1.379  0.00  0.00    -0.358 OA
ATOM     17  C   LIG    1       -0.886   0.053   0.767  0.00  0.00    +0.139 C 
ATOM     18  C   LIG    1       -0.734   1.175   1.803  0.00  0.00    +0.186 C 
ATOM     19  C   LIG    1        0.005   2.431   1.401  0.00  0.00    +0.187 C 
ATOM     20  O   LIG    1       -0.540   3.058   0.226  0.00  0.00    -0.358 OA
ATOM     21  O   LIG    1        0.020  -0.040   1.878  0.00  0.00    -0.358 OA
ATOM     22  C   LIG    1        0.796   2.539   0.102  0.00  0.00    +0.140 C 
ENDROOT
BRANCH  22  23
ATOM     23  C   LIG    1        1.837   3.631  -0.149  0.00  0.00    +0.021 C 
ATOM     24  C   LIG    1        1.479   4.467  -1.383  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1        2.082   4.554   1.045  0.00  0.00    +0.010 C 
ENDBRANCH  22  23
BRANCH   1  26
ATOM     26  O   LIG    1        2.153   0.628  -0.304  0.00  0.00    -0.454 OA
BRANCH  26  27
ATOM     27  C   LIG    1        2.963   0.143  -1.281  0.00  0.00    +0.325 C 
ATOM     28  O   LIG    1        2.777   0.273  -2.486  0.00  0.00    -0.249 OA
BRANCH  27  29
ATOM     29  C   LIG    1        4.197  -0.552  -0.667  0.00  0.00    +0.163 C 
BRANCH  29  31
ATOM     30  C   LIG    1        5.191  -2.777   0.100  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1        3.922  -2.044  -0.360  0.00  0.00    +0.010 C 
ATOM     32  C   LIG    1        2.848  -2.218   0.721  0.00  0.00    +0.009 C 
ENDBRANCH  29  31
BRANCH  29  33
ATOM     33  N   LIG    1        5.330  -0.414  -1.621  0.00  0.00    -0.318 NA
ATOM     34  H   LIG    1        5.037  -0.831  -2.509  0.00  0.00    +0.119 HD
ATOM     35  H   LIG    1        5.455   0.576  -1.838  0.00  0.00    +0.119 HD
ENDBRANCH  29  33
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 6