REMARK  Name = LIG001789
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.838  -0.229  -0.161  0.00  0.00    -0.239 N 
ATOM      2  N   LIG    1       -2.439   0.906   0.438  0.00  0.00    -0.064 NA
ATOM      3  N   LIG    1       -1.130   1.015   0.255  0.00  0.00    -0.129 NA
ATOM      4  C   LIG    1       -0.710  -0.069  -0.469  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -1.787  -0.881  -0.738  0.00  0.00    +0.139 A 
ENDROOT
BRANCH   1  12
ATOM      6  O   LIG    1       -6.790   2.015   1.789  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -5.979   1.260   1.260  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -5.823   1.237  -0.103  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -6.411   1.878  -0.619  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -5.098   0.347  -0.857  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1       -5.172   0.364  -2.085  0.00  0.00    -0.273 OA
ATOM     12  C   LIG    1       -4.226  -0.645  -0.119  0.00  0.00    +0.195 C 
ATOM     13  C   LIG    1       -4.758  -0.932   1.287  0.00  0.00    +0.045 C 
ATOM     14  C   LIG    1       -5.094   0.336   2.059  0.00  0.00    +0.099 C 
ENDBRANCH   1  12
BRANCH   4  15
ATOM     15  C   LIG    1        0.693  -0.237  -0.837  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        1.696   0.722  -0.506  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        2.961   0.350  -0.930  0.00  0.00    +0.075 A 
ATOM     18  S   LIG    1        2.905  -1.131  -1.790  0.00  0.00    -0.091 S 
ATOM     19  C   LIG    1        1.222  -1.301  -1.534  0.00  0.00    +0.056 A 
BRANCH  17  20
ATOM     20  C   LIG    1        4.184   1.130  -0.780  0.00  0.00    +0.253 C 
ATOM     21  N   LIG    1        5.388   0.452  -0.703  0.00  0.00    -0.297 N 
ATOM     22  C   LIG    1        6.675   1.046  -0.348  0.00  0.00    +0.109 C 
ATOM     23  C   LIG    1        6.844  -0.102   0.648  0.00  0.00    +0.038 C 
ATOM     24  C   LIG    1        5.688  -0.819  -0.051  0.00  0.00    +0.109 C 
ATOM     25  O   LIG    1        4.159   2.360  -0.712  0.00  0.00    -0.269 OA
ENDBRANCH  17  20
ENDBRANCH   4  15
TORSDOF 3