REMARK  Name = LIG001117
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.765   1.101  -0.329  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.560  -0.140  -0.916  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.285  -1.115  -0.893  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.254  -0.084  -1.582  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        1.678   1.153  -1.302  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        0.428   1.472  -1.805  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -0.236   0.526  -2.608  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1        0.367  -0.730  -2.865  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        1.627  -1.044  -2.352  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        2.581   1.945  -0.420  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        7.857   0.635   3.330  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        6.982   0.795   2.484  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        5.671   0.496   2.758  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        5.486   0.115   3.676  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        4.564   0.767   1.987  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        3.434   0.604   2.447  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        4.838   1.398   0.613  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        6.226   1.004   0.108  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        7.270   1.412   1.136  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1       -1.613   0.820  -3.151  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.628   0.411  -2.213  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1       -2.756   0.969  -1.369  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1       -3.245  -0.810  -2.276  0.00  0.00    +0.249 C 
ATOM     24  O   LIG    1       -3.079  -1.599  -3.203  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -4.138  -1.130  -1.125  0.00  0.00    +0.100 A 
ATOM     26  C   LIG    1       -4.340  -0.247   0.061  0.00  0.00    +0.201 A 
ATOM     27  O   LIG    1       -3.792   0.851   0.147  0.00  0.00    -0.286 OA
ATOM     28  C   LIG    1       -5.223  -0.736   1.153  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1       -5.843  -1.990   1.015  0.00  0.00    +0.050 A 
ATOM     30  C   LIG    1       -6.689  -2.442   2.030  0.00  0.00    +0.026 A 
ATOM     31  C   LIG    1       -6.891  -1.668   3.177  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -6.259  -0.431   3.313  0.00  0.00    +0.001 A 
ATOM     33  N   LIG    1       -5.662  -2.732  -0.159  0.00  0.00    -0.360 N 
ATOM     34  H   LIG    1       -5.977  -3.695  -0.186  0.00  0.00    +0.165 HD
ATOM     35  C   LIG    1       -5.425   0.040   2.300  0.00  0.00    +0.014 A 
ATOM     36  C   LIG    1       -4.803  -2.298  -1.136  0.00  0.00    +0.100 A 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 4