REMARK  Name = LIG000644
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.663  -0.416  -0.563  0.00  0.00    +0.090 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.151  -0.685  -0.824  0.00  0.00    +0.086 C 
ATOM      3  C   LIG    1       -2.763  -1.499   0.302  0.00  0.00    +0.223 C 
ATOM      4  O   LIG    1       -2.990  -2.701   0.210  0.00  0.00    -0.275 OA
ATOM      5  N   LIG    1       -3.074  -0.812   1.449  0.00  0.00    -0.256 N 
ATOM      6  H   LIG    1       -3.488  -1.383   2.175  0.00  0.00    +0.157 HD
ATOM      7  C   LIG    1       -3.442   0.508   1.504  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1       -4.095   0.946   2.447  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -2.980   1.385   0.366  0.00  0.00    +0.097 C 
ATOM     10  C   LIG    1       -2.954   0.616  -0.947  0.00  0.00    +0.023 C 
ENDBRANCH   1   2
BRANCH   1  11
ATOM     11  S   LIG    1        0.354  -1.896  -0.882  0.00  0.00    -0.085 S 
BRANCH  11  15
ATOM     12  C   LIG    1        3.466   1.831   0.768  0.00  0.00    +0.066 C 
ATOM     13  C   LIG    1        3.331   0.438   0.231  0.00  0.00    +0.043 A 
ATOM     14  N   LIG    1        2.085  -0.005  -0.038  0.00  0.00    -0.227 NA
ATOM     15  C   LIG    1        1.972  -1.257  -0.517  0.00  0.00    +0.188 A 
ATOM     16  N   LIG    1        3.004  -2.084  -0.745  0.00  0.00    -0.230 NA
ATOM     17  C   LIG    1        4.227  -1.604  -0.464  0.00  0.00    +0.115 A 
ATOM     18  C   LIG    1        4.452  -0.341   0.030  0.00  0.00    +0.043 A 
ENDBRANCH  11  15
ENDBRANCH   1  11
TORSDOF 3