REMARK  Name = LIG001641
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.836   1.815   1.319  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1       -2.006   1.065   1.271  0.00  0.00    -0.010 A 
ATOM      3  C   LIG    1       -2.419   0.000   0.308  0.00  0.00    +0.145 C 
ATOM      4  N   LIG    1       -3.695  -0.450   0.847  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1       -4.115   0.338   1.907  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -5.184   0.320   2.486  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -3.015   1.259   2.214  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -2.924   2.186   3.234  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.755   2.941   3.306  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -0.725   2.756   2.362  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -4.562  -1.344   0.088  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -5.490  -0.554  -0.847  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -5.183   0.521  -1.362  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.670  -1.175  -1.192  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -7.263  -0.669  -1.834  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.085  -2.439  -0.857  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -8.101  -2.922  -1.351  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -6.187  -3.227   0.068  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -5.369  -2.306   0.959  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  22
ATOM     20  C   LIG    1        2.467   0.854  -0.248  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        1.440   1.018   0.692  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1        0.237   1.647   0.338  0.00  0.00    -0.017 A 
ATOM     23  C   LIG    1        0.082   2.105  -0.980  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        1.097   1.931  -1.924  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        2.287   1.302  -1.562  0.00  0.00    +0.013 A 
BRANCH  20  28
ATOM     26  N   LIG    1        4.870   0.531  -0.485  0.00  0.00    -0.311 N 
ATOM     27  H   LIG    1        4.860   1.403  -0.997  0.00  0.00    +0.149 HD
ATOM     28  C   LIG    1        3.716   0.169   0.183  0.00  0.00    +0.244 C 
ATOM     29  O   LIG    1        3.688  -0.641   1.102  0.00  0.00    -0.270 OA
BRANCH  26  30
ATOM     30  C   LIG    1        6.157   0.029  -0.050  0.00  0.00    +0.104 C 
BRANCH  30  31
ATOM     31  C   LIG    1        7.230   0.190  -1.125  0.00  0.00    +0.018 C 
BRANCH  31  33
ATOM     32  C   LIG    1        6.876  -2.080  -2.239  0.00  0.00    +0.004 C 
ATOM     33  C   LIG    1        6.952  -0.573  -2.424  0.00  0.00    -0.002 C 
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  26  30
ENDBRANCH  20  28
ENDBRANCH   1  22
TORSDOF 6