REMARK  Name = LIG000422
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.268  -0.623   2.055  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -0.624  -0.140   0.951  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1        0.285  -0.632   0.305  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -1.248   1.139   0.616  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -2.279   1.340   1.517  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -3.083   2.458   1.470  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -2.811   3.390   0.466  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -1.758   3.184  -0.456  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -0.952   2.042  -0.393  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -2.304   0.193   2.421  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1       -3.112   0.042   3.318  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        0.212  -5.868   2.687  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -0.160  -4.699   2.692  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -1.226  -4.292   1.927  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -1.626  -4.997   1.323  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -1.665  -3.004   1.717  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -2.521  -2.768   0.867  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -1.060  -1.940   2.639  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        0.401  -2.271   2.931  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        0.483  -3.649   3.570  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   9  21
ATOM     21  N   LIG    1        0.108   1.752  -1.278  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1        0.596   0.875  -1.091  0.00  0.00    +0.155 HD
ATOM     23  C   LIG    1        0.588   2.543  -2.303  0.00  0.00    +0.248 C 
ATOM     24  O   LIG    1        0.211   3.678  -2.574  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        1.692   1.944  -3.109  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        2.635   2.805  -3.688  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        3.684   2.289  -4.450  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        3.793   0.913  -4.646  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        2.849   0.051  -4.088  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        1.796   0.562  -3.324  0.00  0.00    +0.013 A 
ENDBRANCH  23  25
ENDBRANCH   9  21
TORSDOF 3