REMARK  Name = LIG000808
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.825   0.774   0.472  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -2.994   0.127   0.596  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -2.855  -1.089   1.140  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1       -1.680  -1.693   1.542  0.00  0.00    +0.148 A 
ATOM      5  N   LIG    1       -1.920  -2.962   2.031  0.00  0.00    -0.231 NA
ATOM      6  C   LIG    1       -3.226  -3.109   1.950  0.00  0.00    +0.201 A 
ATOM      7  C   LIG    1       -0.501  -0.949   1.372  0.00  0.00    +0.152 A 
ATOM      8  N   LIG    1       -3.836  -2.001   1.421  0.00  0.00    -0.312 N 
ATOM      9  N   LIG    1       -0.616   0.290   0.824  0.00  0.00    -0.197 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -5.263  -1.815   1.199  0.00  0.00    +0.084 C 
ATOM     11  C   LIG    1       -6.050  -1.871   2.509  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1       -5.807  -2.816   0.180  0.00  0.00    +0.030 C 
ENDBRANCH   8  10
BRANCH   1  13
ATOM     13  N   LIG    1       -1.788   2.053  -0.060  0.00  0.00    -0.308 N 
ATOM     14  H   LIG    1       -0.806   2.190  -0.292  0.00  0.00    +0.149 HD
BRANCH  13  15
ATOM     15  CA  LIG    1       -2.666   2.403  -1.185  0.00  0.00    +0.098 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -4.334   3.584   0.346  0.00  0.00    +0.006 C 
ATOM     17  C   LIG    1       -4.138   2.584  -0.787  0.00  0.00    +0.021 C 
ENDBRANCH  15  17
BRANCH  15  18
ATOM     18  C   LIG    1       -2.505   1.435  -2.375  0.00  0.00    +0.178 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -1.151   1.450  -2.834  0.00  0.00    -0.393 OA
ATOM     20  H   LIG    1       -1.057   0.711  -3.460  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        0.746  -1.459   1.755  0.00  0.00    -0.327 N 
ATOM     22  H   LIG    1        0.679  -2.469   1.868  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.873  -0.977   0.973  0.00  0.00    +0.103 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.152  -1.658   1.464  0.00  0.00    +0.019 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.421  -1.129   0.787  0.00  0.00    +0.002 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.481  -1.442  -0.713  0.00  0.00    +0.005 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.826  -1.065  -1.347  0.00  0.00    +0.035 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.089   0.420  -1.375  0.00  0.00    -0.047 A 
ATOM     29  C   LIG    1        5.364   1.256  -2.236  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1        5.601   2.631  -2.254  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.564   3.185  -1.413  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.292   2.364  -0.554  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        7.056   0.988  -0.535  0.00  0.00    +0.003 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   7  21
TORSDOF 13