REMARK  Name = LIG001948
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.007   0.215  -1.633  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -1.307  -0.232  -1.420  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -2.280   0.144  -0.391  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -3.412  -0.586  -0.622  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -3.253  -1.427  -1.688  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -4.050  -2.208  -2.173  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1       -2.058   0.928   0.513  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -1.904  -1.208  -2.201  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -1.255  -1.801  -3.262  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.043  -1.367  -3.526  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        0.649  -0.367  -2.729  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -4.622  -0.541   0.188  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -4.287  -0.961   1.618  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -3.708  -2.014   1.884  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -4.621  -0.080   2.616  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -4.376  -0.378   3.551  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -4.817   1.270   2.489  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -4.821   1.997   3.479  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -4.965   1.819   1.091  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -5.414   0.761   0.099  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1        0.527   1.254  -0.876  0.00  0.00    -0.343 N 
ATOM     22  H   LIG    1       -0.007   1.423  -0.017  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.965   1.407  -0.683  0.00  0.00    +0.101 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.517   0.327   0.249  0.00  0.00    +0.019 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.010   0.533   0.515  0.00  0.00    +0.001 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.561  -0.550   1.444  0.00  0.00    -0.000 C 
BRANCH  26  28
ATOM     27  C   LIG    1        6.985  -0.448   0.651  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1        6.027  -0.333   1.827  0.00  0.00    -0.003 C 
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 7