REMARK  Name = LIG001001
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.846   0.412   0.343  0.00  0.00    -0.181 N 
ATOM      2  C   LIG    1       -1.603   1.542  -0.044  0.00  0.00    +0.353 A 
ATOM      3  O   LIG    1       -2.707   1.838   0.417  0.00  0.00    -0.244 OA
ATOM      4  N   LIG    1       -1.013   2.362  -1.005  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1        0.260   2.162  -1.488  0.00  0.00    +0.288 A 
ATOM      6  O   LIG    1        0.942   2.986  -2.083  0.00  0.00    -0.265 OA
ATOM      7  C   LIG    1        0.846   0.826  -1.181  0.00  0.00    +0.210 A 
ATOM      8  N   LIG    1        0.320   0.036  -0.294  0.00  0.00    -0.152 NA
ENDROOT
BRANCH   1  14
ATOM      9  C   LIG    1       -2.223  -3.351   4.546  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -1.904  -2.358   3.463  0.00  0.00    -0.047 A 
ATOM     11  C   LIG    1       -2.619  -1.156   3.325  0.00  0.00    -0.046 A 
ATOM     12  C   LIG    1       -3.768  -0.816   4.237  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -2.280  -0.256   2.290  0.00  0.00    +0.031 A 
ATOM     14  C   LIG    1       -1.230  -0.506   1.393  0.00  0.00    +0.071 A 
ATOM     15  C   LIG    1       -0.518  -1.705   1.575  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -0.847  -2.614   2.587  0.00  0.00    +0.006 A 
ENDBRANCH   1  14
BRANCH   7  17
ATOM     17  C   LIG    1        2.096   0.325  -1.870  0.00  0.00    +0.270 C 
ATOM     18  N   LIG    1        3.066  -0.127  -1.005  0.00  0.00    -0.309 N 
ATOM     19  H   LIG    1        2.798  -0.300  -0.039  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1        2.156   0.303  -3.088  0.00  0.00    -0.268 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.208  -0.881  -1.482  0.00  0.00    +0.120 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.204  -1.149  -0.341  0.00  0.00    +0.102 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.554  -1.642   0.897  0.00  0.00    -0.307 NA
ATOM     24  C   LIG    1        5.509  -1.598   2.010  0.00  0.00    +0.104 C 
ATOM     25  C   LIG    1        4.051  -3.010   0.735  0.00  0.00    +0.104 C 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   7  17
BRANCH   4  26
ATOM     26  C   LIG    1       -1.710   3.569  -1.421  0.00  0.00    +0.165 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.494   3.340  -2.695  0.00  0.00    -0.028 A 
ATOM     28  C   LIG    1       -1.902   3.567  -3.946  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -2.619   3.336  -5.120  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.932   2.872  -5.057  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.527   2.632  -3.820  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.812   2.861  -2.644  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 7