REMARK  Name = LIG000972
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.421  -0.220   0.583  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -2.849   1.044   0.437  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.885   1.942   0.685  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1       -0.577   1.681   1.046  0.00  0.00    +0.148 A 
ATOM      5  N   LIG    1        0.137   2.853   1.197  0.00  0.00    -0.231 NA
ATOM      6  C   LIG    1       -0.734   3.808   0.951  0.00  0.00    +0.201 A 
ATOM      7  C   LIG    1       -0.216   0.330   1.173  0.00  0.00    +0.152 A 
ATOM      8  N   LIG    1       -1.972   3.307   0.638  0.00  0.00    -0.312 N 
ATOM      9  N   LIG    1       -1.174  -0.601   0.924  0.00  0.00    -0.197 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -3.165   4.078   0.315  0.00  0.00    +0.084 C 
ATOM     11  C   LIG    1       -2.973   4.904  -0.957  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1       -3.603   4.955   1.488  0.00  0.00    +0.030 C 
ENDBRANCH   8  10
BRANCH   1  13
ATOM     13  N   LIG    1       -3.392  -1.187   0.339  0.00  0.00    -0.308 N 
ATOM     14  H   LIG    1       -4.112  -0.706  -0.191  0.00  0.00    +0.149 HD
BRANCH  13  15
ATOM     15  CA  LIG    1       -2.901  -2.442  -0.254  0.00  0.00    +0.098 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -3.616  -4.242  -1.938  0.00  0.00    +0.006 C 
ATOM     17  C   LIG    1       -4.011  -2.982  -1.183  0.00  0.00    +0.021 C 
ENDBRANCH  15  17
BRANCH  15  18
ATOM     18  C   LIG    1       -2.560  -3.432   0.883  0.00  0.00    +0.178 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -3.702  -3.644   1.716  0.00  0.00    -0.393 OA
ATOM     20  H   LIG    1       -4.008  -2.741   1.933  0.00  0.00    +0.209 HD
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   7  21
ATOM     21  N   LIG    1        1.076  -0.044   1.539  0.00  0.00    -0.327 N 
ATOM     22  H   LIG    1        1.719   0.741   1.459  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.566  -1.336   1.092  0.00  0.00    +0.103 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.845  -1.378  -0.413  0.00  0.00    +0.019 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.840  -0.331  -0.930  0.00  0.00    +0.005 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.221  -0.374  -0.273  0.00  0.00    -0.011 C 
ATOM     27  C   LIG    1        5.192   0.632  -0.889  0.00  0.00    +0.003 C 
ATOM     28  C   LIG    1        6.557   0.161  -0.401  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1        6.432  -1.350  -0.206  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1        4.966  -1.695  -0.459  0.00  0.00    +0.003 C 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   7  21
TORSDOF 11