REMARK  Name = LIG001222
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.821  -0.165   0.201  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.822  -0.173   1.587  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.766  -0.303   2.343  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.434   0.031   2.014  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.656   0.240   0.877  0.00  0.00    -0.003 A 
ATOM      6  C   LIG    1       -0.297   0.465   1.001  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        0.261   0.471   2.288  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.541   0.260   3.426  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -1.912   0.037   3.295  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -2.518   0.201  -0.339  0.00  0.00    +0.146 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -9.007   0.522  -1.532  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -7.846   0.310  -1.193  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -7.012   1.342  -0.844  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -7.422   2.266  -0.853  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.661   1.288  -0.586  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -5.015   2.325  -0.445  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.025  -0.110  -0.623  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -6.058  -1.180  -0.273  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -7.237  -1.073  -1.227  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1        0.528   0.686  -0.144  0.00  0.00    -0.066 C 
ATOM     21  C   LIG    1        1.228   0.874  -1.103  0.00  0.00    -0.097 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.096   1.104  -2.265  0.00  0.00    +0.092 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.523   1.458  -1.857  0.00  0.00    +0.054 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.255   0.299  -1.181  0.00  0.00    +0.230 C 
BRANCH  24  25
ATOM     25  O   LIG    1        5.596   0.723  -0.927  0.00  0.00    -0.492 OA
BRANCH  25  26
ATOM     26  C   LIG    1        6.426  -0.175  -0.315  0.00  0.00    +0.121 A 
ATOM     27  C   LIG    1        6.088  -1.469   0.084  0.00  0.00    +0.045 A 
ATOM     28  C   LIG    1        7.041  -2.285   0.702  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        8.334  -1.812   0.923  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.676  -0.522   0.527  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        7.724   0.292  -0.090  0.00  0.00    +0.045 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   6  20
TORSDOF 7