REMARK  Name = LIG000800
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.215  -0.367   1.727  0.00  0.00    +0.152 A 
ATOM      2  C   LIG    1       -0.263  -1.581   1.206  0.00  0.00    +0.148 A 
ATOM      3  N   LIG    1        0.085  -2.896   1.444  0.00  0.00    -0.231 NA
ATOM      4  C   LIG    1       -0.703  -3.595   0.654  0.00  0.00    +0.201 A 
ATOM      5  N   LIG    1       -1.537  -2.794  -0.084  0.00  0.00    -0.312 N 
ATOM      6  C   LIG    1       -1.262  -1.497   0.255  0.00  0.00    +0.167 A 
ATOM      7  N   LIG    1       -1.830  -0.383  -0.223  0.00  0.00    -0.195 NA
ATOM      8  C   LIG    1       -1.342   0.727   0.354  0.00  0.00    +0.219 A 
ATOM      9  N   LIG    1       -0.356   0.781   1.273  0.00  0.00    -0.197 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -2.529  -3.263  -1.040  0.00  0.00    +0.084 C 
ATOM     11  C   LIG    1       -2.217  -2.805  -2.465  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1       -3.952  -2.888  -0.627  0.00  0.00    +0.030 C 
ENDBRANCH   5  10
BRANCH   1  13
ATOM     13  N   LIG    1        1.232  -0.339   2.691  0.00  0.00    -0.323 N 
ATOM     14  H   LIG    1        1.669  -1.259   2.725  0.00  0.00    +0.148 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.182   0.754   2.565  0.00  0.00    +0.138 C 
BRANCH  15  19
ATOM     16  C   LIG    1        5.158  -0.160  -0.447  0.00  0.00    -0.048 A 
ATOM     17  C   LIG    1        4.027   0.598  -0.772  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        3.070   0.895   0.200  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        3.230   0.450   1.519  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        4.361  -0.312   1.842  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        5.319  -0.609   0.870  0.00  0.00    +0.004 A 
BRANCH  16  23
ATOM     22  C   LIG    1        7.277   0.603  -1.551  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1        6.198  -0.468  -1.493  0.00  0.00    +0.032 C 
ENDBRANCH  16  23
ENDBRANCH  15  19
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   8  24
ATOM     24  N   LIG    1       -1.829   1.975  -0.025  0.00  0.00    -0.308 N 
ATOM     25  H   LIG    1       -1.438   2.612   0.662  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  CA  LIG    1       -3.289   2.065  -0.177  0.00  0.00    +0.098 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.560   3.292  -1.071  0.00  0.00    +0.021 C 
ATOM     28  C   LIG    1       -5.005   3.401  -1.537  0.00  0.00    +0.006 C 
ENDBRANCH  26  27
BRANCH  26  29
ATOM     29  C   LIG    1       -3.977   2.210   1.203  0.00  0.00    +0.178 C 
BRANCH  29  30
ATOM     30  O   LIG    1       -3.927   0.988   1.936  0.00  0.00    -0.393 OA
ATOM     31  H   LIG    1       -4.121   1.195   2.865  0.00  0.00    +0.209 HD
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH  24  26
ENDBRANCH   8  24
TORSDOF 10