REMARK  Name = LIG001558
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.080  -0.815   0.439  0.00  0.00    -0.248 N 
ATOM      2  H   LIG    1       -0.282  -1.771   0.672  0.00  0.00    +0.158 HD
ATOM      3  C   LIG    1       -1.098   0.046   0.076  0.00  0.00    +0.310 C 
ATOM      4  N   LIG    1       -2.333  -0.514   0.388  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1       -2.316  -1.310   1.007  0.00  0.00    +0.156 HD
ATOM      6  O   LIG    1       -0.945   1.141  -0.446  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        5.924  -0.004   0.042  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1        5.022  -1.029   0.366  0.00  0.00    +0.036 A 
ATOM      9  C   LIG    1        3.647  -0.742   0.320  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1        3.164   0.520  -0.034  0.00  0.00    +0.080 A 
ATOM     11  N   LIG    1        1.789   0.648  -0.032  0.00  0.00    -0.225 NA
ATOM     12  C   LIG    1        1.241  -0.487   0.304  0.00  0.00    +0.167 A 
ATOM     13  C   LIG    1        4.089   1.534  -0.355  0.00  0.00    +0.030 A 
ATOM     14  S   LIG    1        2.306  -1.773   0.657  0.00  0.00    -0.052 S 
ATOM     15  C   LIG    1        5.462   1.264  -0.314  0.00  0.00    +0.021 A 
BRANCH   7  17
ATOM     16  N   LIG    1        8.474  -0.484   0.114  0.00  0.00    -0.191 NA
ATOM     17  C   LIG    1        7.334  -0.266   0.080  0.00  0.00    +0.099 C 
ENDBRANCH   7  17
ENDBRANCH   1  12
BRANCH   4  18
ATOM     18  C   LIG    1       -3.612   0.004   0.087  0.00  0.00    +0.036 A 
ATOM     19  C   LIG    1       -3.835   1.110  -0.736  0.00  0.00    +0.043 A 
ATOM     20  C   LIG    1       -5.139   1.544  -0.985  0.00  0.00    +0.043 A 
ATOM     21 CL   LIG    1       -5.409   2.908  -2.002  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1       -6.230   0.884  -0.424  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -6.017  -0.223   0.392  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1       -4.715  -0.661   0.644  0.00  0.00    +0.023 A 
ENDBRANCH   4  18
TORSDOF 3