REMARK  Name = LIG000898
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.340  -1.223   1.207  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -0.983  -0.840   1.017  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -1.530   0.488   0.733  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -2.887   0.354   0.656  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -3.266  -0.958   0.767  0.00  0.00    +0.258 C 
ATOM      6  O   LIG    1       -4.393  -1.406   0.669  0.00  0.00    -0.269 OA
ATOM      7  O   LIG    1       -0.854   1.487   0.561  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -2.047  -1.732   1.028  0.00  0.00    +0.093 A 
ATOM      9  C   LIG    1       -1.862  -3.085   1.248  0.00  0.00    +0.133 A 
ATOM     10  C   LIG    1       -0.548  -3.506   1.471  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        0.529  -2.587   1.459  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -3.806   1.404   0.248  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -3.651   1.662  -1.255  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -3.173   0.852  -2.047  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -4.146   2.866  -1.706  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -4.052   3.035  -2.698  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -4.576   3.932  -0.955  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -4.898   4.991  -1.486  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -4.686   3.710   0.536  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -3.648   2.710   1.023  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1        1.363  -0.281   1.262  0.00  0.00    -0.343 N 
ATOM     22  H   LIG    1        1.067   0.627   0.885  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.737  -0.613   0.897  0.00  0.00    +0.101 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.873  -0.819  -0.614  0.00  0.00    +0.019 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.320  -1.058  -1.055  0.00  0.00    +0.001 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.034   0.182  -1.605  0.00  0.00    -0.000 C 
BRANCH  26  28
ATOM     27  C   LIG    1        6.064   2.434  -1.150  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1        5.218   1.304  -0.585  0.00  0.00    -0.003 C 
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   1  21
BRANCH   9  29
ATOM     29  O   LIG    1       -2.963  -3.884   1.246  0.00  0.00    -0.494 OA
ATOM     30  C   LIG    1       -2.763  -5.282   1.406  0.00  0.00    +0.277 C 
ENDBRANCH   9  29
TORSDOF 8