REMARK  Name = LIG000572
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.657   0.602  -0.351  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -4.356   0.123   0.911  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -5.101  -0.039   1.856  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.927  -0.211   0.910  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -2.434   0.005  -0.371  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -1.101  -0.246  -0.655  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -0.245  -0.694   0.369  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -0.793  -0.942   1.649  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -2.140  -0.689   1.935  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -3.530   0.469  -1.267  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -9.336   0.168   1.533  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -8.338   0.414   0.859  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -7.931  -0.452  -0.121  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -8.462  -1.308  -0.188  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -6.833  -0.363  -0.938  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -6.525  -1.298  -1.678  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.994   0.911  -0.844  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -6.710   2.061  -0.139  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -7.505   1.651   1.087  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  N   LIG    1        1.076  -1.002   0.030  0.00  0.00    -0.340 N 
ATOM     21  H   LIG    1        1.413  -0.458  -0.761  0.00  0.00    +0.146 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.082  -1.153   1.071  0.00  0.00    +0.137 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.442  -1.308   0.425  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        4.368  -0.245   0.457  0.00  0.00    +0.017 A 
ATOM     25  C   LIG    1        5.622  -0.405  -0.164  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        5.900  -1.612  -0.794  0.00  0.00    +0.136 A 
ATOM     27  O   LIG    1        7.148  -1.593  -1.338  0.00  0.00    -0.455 OA
ATOM     28  C   LIG    1        7.683  -0.372  -1.062  0.00  0.00    +0.136 A 
ATOM     29  C   LIG    1        8.953   0.055  -1.444  0.00  0.00    +0.047 A 
ATOM     30  C   LIG    1        9.319   1.350  -1.061  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        8.446   2.162  -0.334  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        7.173   1.704   0.037  0.00  0.00    +0.012 A 
ATOM     33  C   LIG    1        5.013  -2.683  -0.856  0.00  0.00    +0.047 A 
ATOM     34  C   LIG    1        6.784   0.404  -0.338  0.00  0.00    +0.028 A 
ATOM     35  C   LIG    1        3.773  -2.505  -0.234  0.00  0.00    +0.009 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   7  20
TORSDOF 4