REMARK  Name = LIG001100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.988  -0.675  -0.378  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        4.575   0.087  -1.462  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        5.259   0.685  -2.269  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        3.108   0.069  -1.458  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        2.686  -0.621  -0.327  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        1.333  -0.779  -0.069  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        0.402  -0.239  -0.975  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1        0.857   0.459  -2.112  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        2.225   0.620  -2.363  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        3.867  -1.072   0.464  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   7  11
ATOM     11  N   LIG    1       -0.960  -0.419  -0.667  0.00  0.00    -0.269 N 
ATOM     12  H   LIG    1       -1.175  -0.936   0.171  0.00  0.00    +0.156 HD
ATOM     13  C   LIG    1       -2.055  -0.100  -1.442  0.00  0.00    +0.306 C 
ATOM     14  N   LIG    1       -3.251  -0.333  -0.793  0.00  0.00    -0.284 N 
ATOM     15  C   LIG    1       -3.565  -0.221   0.628  0.00  0.00    +0.122 C 
ATOM     16  C   LIG    1       -5.048  -0.136   0.208  0.00  0.00    +0.028 C 
ATOM     17  C   LIG    1       -6.032   0.854   0.909  0.00  0.00    -0.035 A 
ATOM     18  C   LIG    1       -7.314   0.286   1.019  0.00  0.00    -0.044 A 
ATOM     19  C   LIG    1       -8.383   0.959   1.589  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -8.165   2.241   2.087  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -6.897   2.829   1.997  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -7.331  -1.075   0.380  0.00  0.00    +0.036 C 
ATOM     23  C   LIG    1       -5.833   2.140   1.407  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -5.837  -1.468   0.319  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1       -4.545   0.204  -1.215  0.00  0.00    +0.122 C 
ATOM     26  O   LIG    1       -2.029   0.328  -2.591  0.00  0.00    -0.252 OA
ENDBRANCH   7  11
BRANCH   1  33
ATOM     27  O   LIG    1       10.286   0.451   0.633  0.00  0.00    -0.275 OA
ATOM     28  C   LIG    1        9.124   0.131   0.400  0.00  0.00    +0.219 C 
ATOM     29  N   LIG    1        8.076   0.874   0.882  0.00  0.00    -0.255 N 
ATOM     30  H   LIG    1        8.326   1.703   1.404  0.00  0.00    +0.158 HD
ATOM     31  C   LIG    1        6.737   0.560   0.858  0.00  0.00    +0.240 C 
ATOM     32  O   LIG    1        5.930   1.234   1.498  0.00  0.00    -0.273 OA
ATOM     33  C   LIG    1        6.361  -0.730   0.113  0.00  0.00    +0.163 C 
ATOM     34  C   LIG    1        7.392  -1.046  -0.971  0.00  0.00    +0.041 C 
ATOM     35  C   LIG    1        8.772  -1.139  -0.340  0.00  0.00    +0.098 C 
ENDBRANCH   1  33
TORSDOF 2