REMARK  Name = LIG000249
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.300  -0.118   0.055  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.830  -0.291  -0.760  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        2.070  -0.430  -0.163  0.00  0.00    -0.015 A 
ATOM      4  C   LIG    1        3.408  -0.653  -0.781  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1        4.311  -0.593   0.369  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        3.599  -0.578   1.564  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1        4.021  -0.698   2.697  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.185  -0.403   1.221  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        1.095  -0.241   2.053  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1       -0.162  -0.095   1.455  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        5.721  -0.990   0.294  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        6.251  -0.994  -1.150  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        5.949  -1.864  -1.966  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        6.963   0.111  -1.552  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        7.226   0.133  -2.528  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        7.138   1.285  -0.866  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        7.577   2.283  -1.431  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        6.704   1.299   0.578  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        6.647  -0.111   1.145  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  O   LIG    1       -1.469   0.008  -0.644  0.00  0.00    -0.488 OA
BRANCH  20  23
ATOM     21  N   LIG    1       -4.997   1.183  -0.282  0.00  0.00    -0.299 NA
ATOM     22  C   LIG    1       -3.692   0.881  -0.899  0.00  0.00    +0.129 C 
ATOM     23  C   LIG    1       -2.699   0.206   0.066  0.00  0.00    +0.188 C 
ATOM     24  C   LIG    1       -3.261  -1.145   0.538  0.00  0.00    +0.050 C 
ATOM     25  C   LIG    1       -4.797  -1.206   0.487  0.00  0.00    +0.003 C 
ATOM     26  C   LIG    1       -5.333  -2.221   1.494  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1       -5.406   0.184   0.721  0.00  0.00    +0.088 C 
BRANCH  21  29
ATOM     28  C   LIG    1       -5.758   2.574  -2.219  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1       -6.049   1.401  -1.287  0.00  0.00    +0.081 C 
ENDBRANCH  21  29
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 4