REMARK  Name = LIG000628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.524  -0.318   1.204  0.00  0.00    +0.113 A 
ATOM      2  N   LIG    1       -1.041  -1.061   2.250  0.00  0.00    -0.129 NA
ATOM      3  N   LIG    1        0.279  -1.128   2.138  0.00  0.00    -0.064 NA
ATOM      4  N   LIG    1        0.626  -0.428   1.042  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1       -0.475   0.063   0.402  0.00  0.00    +0.139 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        2.020  -0.418   0.626  0.00  0.00    +0.195 C 
ATOM      7  C   LIG    1        2.445   0.906   0.012  0.00  0.00    +0.244 C 
ATOM      8  O   LIG    1        1.923   1.988   0.267  0.00  0.00    -0.273 OA
ATOM      9  N   LIG    1        3.520   0.856  -0.849  0.00  0.00    -0.255 N 
ATOM     10  H   LIG    1        3.814   1.741  -1.243  0.00  0.00    +0.158 HD
ATOM     11  C   LIG    1        4.200  -0.249  -1.298  0.00  0.00    +0.219 C 
ATOM     12  O   LIG    1        5.127  -0.144  -2.094  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        3.779  -1.575  -0.713  0.00  0.00    +0.099 C 
ATOM     14  C   LIG    1        2.305  -1.567  -0.342  0.00  0.00    +0.045 C 
ENDBRANCH   4   6
BRANCH   1  17
ATOM     15  C   LIG    1       -2.876   2.069  -0.427  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -3.579   0.979   0.316  0.00  0.00    -0.034 A 
ATOM     17  C   LIG    1       -2.966  -0.091   1.065  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1       -3.906  -0.898   1.675  0.00  0.00    +0.055 A 
ATOM     19  S   LIG    1       -5.506  -0.421   1.329  0.00  0.00    -0.104 S 
ATOM     20  C   LIG    1       -4.960   0.889   0.382  0.00  0.00    +0.049 A 
ENDBRANCH   1  17
TORSDOF 2