REMARK  Name = LIG000872
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.083  -0.654  -1.757  0.00  0.00    +0.016 C 
ATOM      2  C   LIG    1        2.160   0.037  -0.371  0.00  0.00    -0.008 C 
ATOM      3  C   LIG    1        0.723   0.428   0.213  0.00  0.00    +0.003 C 
ATOM      4  C   LIG    1       -0.346   0.777  -0.843  0.00  0.00    +0.005 C 
ATOM      5  C   LIG    1       -1.312  -0.374  -1.105  0.00  0.00    +0.013 C 
ATOM      6  C   LIG    1       -2.168  -0.750   0.129  0.00  0.00    +0.012 C 
ATOM      7  C   LIG    1       -1.368  -0.516   1.458  0.00  0.00    +0.008 C 
ATOM      8  C   LIG    1       -1.893   0.801   2.048  0.00  0.00    +0.033 C 
ATOM      9  C   LIG    1       -3.201   0.982   1.371  0.00  0.00    -0.004 C 
ATOM     10  C   LIG    1       -3.397   0.159   0.327  0.00  0.00    +0.027 C 
ATOM     11  C   LIG    1       -2.585  -2.236   0.067  0.00  0.00    +0.018 C 
ATOM     12  C   LIG    1        0.175  -0.499   1.338  0.00  0.00    +0.001 C 
ATOM     13  C   LIG    1        0.765  -1.909   1.296  0.00  0.00    +0.031 C 
ATOM     14  C   LIG    1        2.256  -1.845   1.279  0.00  0.00    -0.027 C 
ATOM     15  C   LIG    1        2.918  -0.946   0.531  0.00  0.00    -0.065 C 
ATOM     16  C   LIG    1        4.429  -1.010   0.434  0.00  0.00    +0.056 C 
ATOM     17  C   LIG    1        5.088   0.370   0.345  0.00  0.00    +0.092 C 
ATOM     18  C   LIG    1        4.455   1.201  -0.776  0.00  0.00    +0.026 C 
ATOM     19  C   LIG    1        2.958   1.371  -0.521  0.00  0.00    +0.013 C 
ENDROOT
BRANCH  10  20
ATOM     20  N   LIG    1       -4.552   0.128  -0.495  0.00  0.00    -0.302 N 
ATOM     21  C   LIG    1       -5.823   0.674  -0.254  0.00  0.00    +0.073 A 
ATOM     22  C   LIG    1       -6.552   0.441  -1.422  0.00  0.00    +0.089 A 
ATOM     23  C   LIG    1       -7.878   0.890  -1.531  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1       -8.467   1.546  -0.448  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -7.752   1.738   0.729  0.00  0.00    +0.002 A 
ATOM     26  N   LIG    1       -5.821  -0.257  -2.333  0.00  0.00    -0.235 NA
ATOM     27  C   LIG    1       -6.426   1.300   0.853  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -4.666  -0.457  -1.748  0.00  0.00    +0.205 A 
ENDBRANCH  10  20
BRANCH  17  29
ATOM     29  N   LIG    1        6.534   0.269   0.200  0.00  0.00    -0.333 N 
ATOM     30  C   LIG    1        7.453   0.689   1.120  0.00  0.00    +0.199 A 
ATOM     31  N   LIG    1        8.681   0.462   0.713  0.00  0.00    -0.244 NA
ATOM     32  C   LIG    1        8.551  -0.126  -0.517  0.00  0.00    +0.130 A 
ATOM     33  C   LIG    1        7.225  -0.257  -0.857  0.00  0.00    +0.107 A 
ENDBRANCH  17  29
TORSDOF 2