REMARK  Name = LIG001844
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.339  -2.564  -0.388  0.00  0.00    +0.151 C 
ATOM      2  N   LIG    1        2.428  -1.120  -0.142  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        1.266  -0.342   0.036  0.00  0.00    +0.152 A 
ATOM      4  C   LIG    1        1.334   0.990   0.236  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1        0.077   1.761   0.424  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -1.103   1.064   0.177  0.00  0.00    -0.264 N 
ATOM      7  C   LIG    1       -1.058  -0.318   0.074  0.00  0.00    +0.122 A 
ATOM      8  O   LIG    1        0.118   2.941   0.768  0.00  0.00    -0.266 OA
ATOM      9  C   LIG    1        2.659   1.659   0.242  0.00  0.00    +0.204 A 
ATOM     10  O   LIG    1        2.797   2.877   0.263  0.00  0.00    -0.286 OA
ATOM     11  C   LIG    1        3.865   0.810   0.209  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        5.127   1.408   0.360  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1        6.277   0.627   0.331  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        6.163  -0.745   0.151  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        4.901  -1.335  -0.004  0.00  0.00    +0.026 A 
ATOM     16  N   LIG    1        0.050  -0.983   0.019  0.00  0.00    -0.215 NA
ATOM     17  C   LIG    1        3.719  -0.570   0.018  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   6  18
ATOM     18  C   LIG    1       -2.338   1.783   0.103  0.00  0.00    +0.051 A 
ATOM     19  C   LIG    1       -3.212   1.569  -0.975  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1       -4.421   2.264  -1.065  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -4.766   3.190  -0.084  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.900   3.430   0.979  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -2.690   2.735   1.069  0.00  0.00    +0.026 A 
ENDBRANCH   6  18
BRANCH   7  24
ATOM     24  C   LIG    1       -2.385  -1.181   0.123  0.00  0.00    +0.056 C 
ATOM     25  C   LIG    1       -2.302  -2.598   0.776  0.00  0.00    +0.011 C 
ATOM     26  C   LIG    1       -3.303  -3.078  -0.290  0.00  0.00    +0.001 C 
ATOM     27  C   LIG    1       -2.804  -1.924  -1.179  0.00  0.00    +0.011 C 
ENDBRANCH   7  24
TORSDOF 2