REMARK  Name = LIG001679
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.083  -0.980   0.534  0.00  0.00    +0.117 A 
ATOM      2  N   LIG    1       -1.110  -1.660   1.133  0.00  0.00    -0.129 NA
ATOM      3  N   LIG    1       -2.246  -1.049   0.825  0.00  0.00    -0.064 NA
ATOM      4  N   LIG    1       -1.941  -0.007   0.031  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1       -0.598   0.072  -0.186  0.00  0.00    +0.139 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -2.978   0.852  -0.504  0.00  0.00    +0.195 C 
ATOM      7  C   LIG    1       -3.692   1.577   0.616  0.00  0.00    +0.244 C 
ATOM      8  O   LIG    1       -3.193   2.544   1.192  0.00  0.00    -0.273 OA
ATOM      9  N   LIG    1       -4.935   1.117   0.977  0.00  0.00    -0.255 N 
ATOM     10  H   LIG    1       -5.397   1.624   1.720  0.00  0.00    +0.158 HD
ATOM     11  C   LIG    1       -5.678   0.126   0.387  0.00  0.00    +0.219 C 
ATOM     12  O   LIG    1       -6.828  -0.100   0.750  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -5.000  -0.675  -0.696  0.00  0.00    +0.099 C 
ATOM     14  C   LIG    1       -3.961   0.148  -1.443  0.00  0.00    +0.045 C 
ENDBRANCH   4   6
BRANCH   1  17
ATOM     15  C   LIG    1        3.646  -1.340   0.565  0.00  0.00    +0.138 A 
ATOM     16  C   LIG    1        2.460  -0.639   0.405  0.00  0.00    +0.150 A 
ATOM     17  C   LIG    1        1.300  -1.428   0.696  0.00  0.00    +0.053 A 
ATOM     18  C   LIG    1        1.646  -2.678   1.161  0.00  0.00    +0.059 A 
ATOM     19  S   LIG    1        3.334  -2.920   1.179  0.00  0.00    -0.086 S 
BRANCH  15  20
ATOM     20  C   LIG    1        5.031  -0.972   0.322  0.00  0.00    +0.349 C 
ATOM     21  O   LIG    1        6.014  -1.671   0.546  0.00  0.00    -0.244 OA
BRANCH  20  23
ATOM     22  C   LIG    1        6.445   0.718  -0.487  0.00  0.00    +0.280 C 
ATOM     23  O   LIG    1        5.115   0.286  -0.204  0.00  0.00    -0.464 OA
ENDBRANCH  20  23
ENDBRANCH  15  20
BRANCH  16  24
ATOM     24  O   LIG    1        2.426   0.642  -0.040  0.00  0.00    -0.493 OA
ATOM     25  C   LIG    1        2.435   1.565   1.051  0.00  0.00    +0.277 C 
ENDBRANCH  16  24
ENDBRANCH   1  17
TORSDOF 5