REMARK  Name = LIG000601
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.470   2.028   0.897  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.463   1.442   0.509  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.034   1.555  -0.788  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -3.663   2.063  -1.396  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -2.170   0.703  -1.432  0.00  0.00    +0.223 C 
ATOM      6  O   LIG    1       -2.186   0.615  -2.656  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -1.220  -0.076  -0.533  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -2.010  -0.586   0.676  0.00  0.00    +0.023 C 
ATOM      9  C   LIG    1       -2.619   0.592   1.424  0.00  0.00    +0.097 C 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -0.549  -1.194  -1.345  0.00  0.00    +0.088 C 
BRANCH  10  11
ATOM     11  S   LIG    1        0.684  -2.171  -0.406  0.00  0.00    -0.105 S 
BRANCH  11  12
ATOM     12  C   LIG    1        2.096  -1.078  -0.426  0.00  0.00    +0.097 A 
ATOM     13  N   LIG    1        1.951   0.165  -0.935  0.00  0.00    -0.249 NA
ATOM     14  C   LIG    1        3.041   0.964  -0.938  0.00  0.00    +0.112 A 
ATOM     15  C   LIG    1        4.277   0.586  -0.445  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        4.407  -0.692   0.082  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        3.301  -1.539   0.093  0.00  0.00    +0.035 A 
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   7  10
TORSDOF 3