REMARK  Name = LIG000821
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.130  -1.335  -0.201  0.00  0.00    +0.141 A 
ATOM      2  C   LIG    1        1.511  -1.354  -0.194  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1        2.497  -0.273  -0.125  0.00  0.00    +0.258 C 
ATOM      4  N   LIG    1        3.732  -0.867  -0.106  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1        3.637  -2.225  -0.230  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1        4.527  -3.051  -0.296  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1        2.238   0.914  -0.109  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        2.213  -2.545  -0.263  0.00  0.00    +0.053 A 
ATOM      9  C   LIG    1        1.586  -3.773  -0.355  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.190  -3.776  -0.382  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -0.533  -2.568  -0.313  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        4.999  -0.157  -0.186  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1        5.189   0.377  -1.610  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1        4.639  -0.102  -2.600  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        6.093   1.407  -1.745  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        6.234   1.751  -2.686  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        6.742   2.096  -0.751  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        7.501   3.025  -1.015  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        6.527   1.608   0.664  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1        5.153   0.975   0.827  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  O   LIG    1       -0.520  -0.129  -0.170  0.00  0.00    -0.455 OA
BRANCH  21  24
ATOM     22  C   LIG    1       -4.036   0.567   0.647  0.00  0.00    -0.039 A 
ATOM     23  C   LIG    1       -2.820   0.429  -0.051  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1       -1.669  -0.050   0.581  0.00  0.00    +0.129 A 
ATOM     25  C   LIG    1       -1.688  -0.364   1.937  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -2.877  -0.236   2.648  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -4.037   0.219   2.010  0.00  0.00    +0.004 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -6.543   1.171   0.818  0.00  0.00    +0.015 C 
ATOM     29  C   LIG    1       -5.288   1.086  -0.081  0.00  0.00    -0.013 C 
ATOM     30  C   LIG    1       -5.632   0.146  -1.256  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1       -5.020   2.505  -0.626  0.00  0.00    +0.015 C 
ENDBRANCH  22  29
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 4