REMARK  Name = LIG001229
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.704  -1.955   1.424  0.00  0.00    +0.012 C 
ATOM      2  C   LIG    1       -2.585  -0.562   0.750  0.00  0.00    -0.026 C 
ATOM      3  C   LIG    1       -1.070  -0.221   0.455  0.00  0.00    +0.001 C 
ATOM      4  C   LIG    1       -0.151  -0.301   1.707  0.00  0.00    +0.005 C 
ATOM      5  C   LIG    1        1.337  -0.025   1.415  0.00  0.00    +0.010 C 
ATOM      6  C   LIG    1        1.859  -0.893   0.255  0.00  0.00    +0.004 C 
ATOM      7  C   LIG    1        0.978  -0.618  -0.994  0.00  0.00    +0.075 C 
ATOM      8  C   LIG    1        1.745  -1.315  -2.111  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1        3.222  -1.016  -1.788  0.00  0.00    +0.012 C 
ATOM     10  C   LIG    1        3.305  -0.613  -0.281  0.00  0.00    +0.031 C 
ATOM     11  C   LIG    1        1.847  -2.384   0.713  0.00  0.00    +0.014 C 
ATOM     12  C   LIG    1       -0.491  -1.026  -0.752  0.00  0.00    +0.025 C 
ATOM     13  C   LIG    1       -1.376  -0.821  -1.990  0.00  0.00    +0.007 C 
ATOM     14  C   LIG    1       -2.792  -1.307  -1.723  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1       -3.464  -0.581  -0.549  0.00  0.00    -0.002 C 
ATOM     16  C   LIG    1       -4.037   0.794  -0.966  0.00  0.00    +0.035 C 
ATOM     17  C   LIG    1       -3.353   2.001  -0.340  0.00  0.00    +0.115 C 
ATOM     18  C   LIG    1       -3.243   1.905   1.182  0.00  0.00    +0.032 C 
ATOM     19  C   LIG    1       -3.217   0.472   1.718  0.00  0.00    +0.010 C 
ENDROOT
BRANCH  10  20
ATOM     20  C   LIG    1        3.898   0.757   0.013  0.00  0.00    -0.009 A 
ATOM     21  C   LIG    1        3.865   1.826  -0.794  0.00  0.00    +0.203 A 
ATOM     22  O   LIG    1        4.448   3.067  -0.490  0.00  0.00    -0.430 OA
ATOM     23  C   LIG    1        5.106   3.239   0.696  0.00  0.00    +0.337 A 
ATOM     24  O   LIG    1        5.636   4.299   1.012  0.00  0.00    -0.245 OA
ATOM     25  C   LIG    1        5.167   2.079   1.602  0.00  0.00    +0.092 A 
ATOM     26  C   LIG    1        4.599   0.915   1.271  0.00  0.00    +0.014 A 
ENDBRANCH  10  20
BRANCH   7  27
ATOM     27  O   LIG    1        1.005   0.788  -1.294  0.00  0.00    -0.388 OA
ATOM     28  H   LIG    1        0.594   0.931  -2.164  0.00  0.00    +0.210 HD
ENDBRANCH   7  27
BRANCH  17  29
ATOM     29  O   LIG    1       -4.063   3.187  -0.695  0.00  0.00    -0.392 OA
ATOM     30  H   LIG    1       -4.957   3.126  -0.319  0.00  0.00    +0.210 HD
ENDBRANCH  17  29
TORSDOF 3