REMARK  Name = LIG000789
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.678  -2.616   0.098  0.00  0.00    +0.091 A 
ATOM      2  C   LIG    1       -3.229  -1.381  -0.435  0.00  0.00    +0.118 A 
ATOM      3  C   LIG    1       -1.869  -1.359  -0.207  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1       -1.102  -0.277  -0.599  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1       -1.759   0.719  -1.230  0.00  0.00    -0.205 NA
ATOM      6  C   LIG    1       -3.091   0.631  -1.424  0.00  0.00    +0.191 A 
ATOM      7  N   LIG    1       -1.584  -2.549   0.392  0.00  0.00    -0.272 N 
ATOM      8  H   LIG    1       -0.673  -2.898   0.669  0.00  0.00    +0.189 HD
ATOM      9  N   LIG    1       -3.888  -0.377  -1.045  0.00  0.00    -0.218 NA
ATOM     10  N   LIG    1       -2.660  -3.325   0.617  0.00  0.00    -0.176 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -5.219  -4.435  -0.687  0.00  0.00    +0.014 C 
ATOM     12  C   LIG    1       -5.084  -3.141   0.118  0.00  0.00    +0.035 C 
ATOM     13  C   LIG    1       -5.595  -3.340   1.547  0.00  0.00    +0.014 C 
ENDBRANCH   1  12
BRANCH   4  14
ATOM     14  N   LIG    1        0.268  -0.211  -0.376  0.00  0.00    -0.323 N 
ATOM     15  H   LIG    1        0.563  -0.657   0.483  0.00  0.00    +0.148 HD
BRANCH  14  16
ATOM     16  C   LIG    1        0.873   1.098  -0.582  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.340   1.012  -0.227  0.00  0.00    -0.030 A 
ATOM     18  C   LIG    1        2.823   1.564   0.966  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1        4.179   1.461   1.296  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        5.079   0.807   0.446  0.00  0.00    -0.000 A 
ATOM     21  C   LIG    1        4.590   0.247  -0.742  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        3.235   0.347  -1.074  0.00  0.00    +0.006 A 
BRANCH  20  23
ATOM     23  C   LIG    1        6.491   0.710   0.803  0.00  0.00    +0.066 A 
ATOM     24  N   LIG    1        7.526   0.683  -0.105  0.00  0.00    -0.344 N 
ATOM     25  H   LIG    1        7.436   0.738  -1.109  0.00  0.00    +0.167 HD
ATOM     26  C   LIG    1        8.701   0.607   0.584  0.00  0.00    +0.196 A 
ATOM     27  N   LIG    1        8.498   0.585   1.879  0.00  0.00    -0.244 NA
ATOM     28  C   LIG    1        7.136   0.654   2.027  0.00  0.00    +0.138 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   4  14
BRANCH   6  29
ATOM     29  S   LIG    1       -3.900   1.983  -2.256  0.00  0.00    -0.084 S 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.720   3.334  -1.935  0.00  0.00    +0.105 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -2.734   3.781  -0.477  0.00  0.00    +0.167 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -1.803   4.848  -0.303  0.00  0.00    -0.394 OA
ATOM     33  H   LIG    1       -1.894   5.155   0.616  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   6  29
TORSDOF 9