REMARK  Name = LIG000982
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.307   0.814   0.223  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.549  -0.362   0.066  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -0.838  -0.298   0.096  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -1.839  -1.395  -0.028  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -3.105  -0.676   0.022  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -2.929   0.671   0.277  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -3.774   1.517   0.491  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.484   0.915   0.285  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -0.795   2.095   0.453  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        0.604   2.034   0.420  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.378  -1.387   0.033  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -4.990  -1.356   1.434  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -4.438  -1.875   2.405  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.169  -0.670   1.585  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.544  -0.642   2.522  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -6.829   0.103   0.666  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -7.853   0.707   0.981  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -6.238   0.198  -0.718  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -5.361  -0.991  -1.065  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  21
ATOM     20  C   LIG    1        3.441   1.948   0.805  0.00  0.00    +0.138 C 
ATOM     21  N   LIG    1        2.753   0.803   0.195  0.00  0.00    -0.271 N 
ATOM     22  C   LIG    1        3.485  -0.246  -0.399  0.00  0.00    +0.251 C 
ATOM     23  O   LIG    1        3.039  -1.298  -0.851  0.00  0.00    -0.270 OA
BRANCH  22  24
ATOM     24  C   LIG    1        4.948  -0.082  -0.547  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1        5.802  -0.927   0.167  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        7.183  -0.790   0.021  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        7.701   0.175  -0.846  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.843   1.000  -1.577  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        5.462   0.869  -1.435  0.00  0.00    +0.013 A 
ENDBRANCH  22  24
ENDBRANCH   1  21
TORSDOF 3