REMARK  Name = LIG001751
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.764  -1.376  -1.411  0.00  0.00    +0.091 A 
ATOM      2  C   LIG    1       -2.162  -0.458  -0.513  0.00  0.00    +0.118 A 
ATOM      3  C   LIG    1       -1.272   0.270  -1.276  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1       -0.494   1.265  -0.709  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1       -0.686   1.484   0.609  0.00  0.00    -0.205 NA
ATOM      6  C   LIG    1       -1.573   0.733   1.293  0.00  0.00    +0.191 A 
ATOM      7  N   LIG    1       -1.406  -0.215  -2.543  0.00  0.00    -0.272 N 
ATOM      8  H   LIG    1       -0.928   0.101  -3.379  0.00  0.00    +0.189 HD
ATOM      9  N   LIG    1       -2.340  -0.253   0.807  0.00  0.00    -0.218 NA
ATOM     10  N   LIG    1       -2.289  -1.225  -2.660  0.00  0.00    -0.176 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -3.260  -3.830  -1.294  0.00  0.00    +0.014 C 
ATOM     12  C   LIG    1       -3.801  -2.414  -1.093  0.00  0.00    +0.035 C 
ATOM     13  C   LIG    1       -5.083  -2.207  -1.903  0.00  0.00    +0.014 C 
ENDBRANCH   1  12
BRANCH   4  14
ATOM     14  N   LIG    1        0.410   2.017  -1.449  0.00  0.00    -0.323 N 
ATOM     15  H   LIG    1        0.793   1.520  -2.242  0.00  0.00    +0.148 HD
BRANCH  14  16
ATOM     16  C   LIG    1        1.426   2.752  -0.705  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.634   1.878  -0.455  0.00  0.00    -0.030 A 
ATOM     18  C   LIG    1        3.625   1.732  -1.435  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1        4.727   0.902  -1.210  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        4.854   0.199  -0.003  0.00  0.00    +0.065 A 
ATOM     21  C   LIG    1        3.862   0.337   0.977  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        2.762   1.170   0.748  0.00  0.00    +0.007 A 
BRANCH  20  23
ATOM     23  N   LIG    1        5.986  -0.639   0.203  0.00  0.00    -0.240 N 
ATOM     24  N   LIG    1        6.941  -0.772  -0.757  0.00  0.00    -0.175 NA
ATOM     25  C   LIG    1        7.835  -1.611  -0.234  0.00  0.00    +0.135 A 
ATOM     26  C   LIG    1        7.484  -2.037   1.053  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1        6.293  -1.402   1.312  0.00  0.00    +0.114 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   4  14
BRANCH   6  28
ATOM     28  S   LIG    1       -1.712   1.096   3.029  0.00  0.00    -0.085 S 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.527   1.179   3.171  0.00  0.00    +0.092 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -4.111   2.394   2.439  0.00  0.00    +0.089 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -5.564   2.492   2.609  0.00  0.00    -0.329 NA
ATOM     32  H   LIG    1       -5.794   2.542   3.600  0.00  0.00    +0.118 HD
ATOM     33  H   LIG    1       -6.010   1.647   2.253  0.00  0.00    +0.118 HD
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   6  28
TORSDOF 9