REMARK  Name = LIG001096
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.405  -1.012   0.080  0.00  0.00    +0.173 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1        2.484  -1.893   0.884  0.00  0.00    -0.275 OA
ATOM      3  C   LIG    1        1.916  -1.028   0.224  0.00  0.00    +0.229 C 
ATOM      4  N   LIG    1        2.530   0.005  -0.452  0.00  0.00    -0.270 N 
ATOM      5  H   LIG    1        1.958   0.693  -0.925  0.00  0.00    +0.156 HD
BRANCH   4   6
ATOM      6  C   LIG    1        3.889   0.295  -0.543  0.00  0.00    +0.125 A 
ATOM      7  N   LIG    1        4.149   1.410  -1.261  0.00  0.00    -0.239 NA
ATOM      8  C   LIG    1        5.449   1.771  -1.405  0.00  0.00    +0.132 A 
ATOM      9  C   LIG    1        6.510   1.067  -0.863  0.00  0.00    +0.059 A 
ATOM     10 CL   LIG    1        8.127   1.588  -1.089  0.00  0.00    -0.082 Cl
ATOM     11  C   LIG    1        6.226  -0.076  -0.131  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1        4.896  -0.471   0.033  0.00  0.00    +0.045 A 
ENDBRANCH   4   6
ENDBRANCH   1   3
BRANCH   1  13
ATOM     13  S   LIG    1       -0.296   0.176   1.263  0.00  0.00    -0.079 S 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.959   0.073   0.831  0.00  0.00    +0.168 A 
ATOM     15  N   LIG    1       -2.903   0.691   1.596  0.00  0.00    -0.333 N 
ATOM     16  H   LIG    1       -2.721   1.222   2.433  0.00  0.00    +0.168 HD
ATOM     17  C   LIG    1       -4.125   0.451   1.022  0.00  0.00    +0.067 A 
ATOM     18  C   LIG    1       -3.828  -0.325  -0.098  0.00  0.00    +0.090 A 
ATOM     19  C   LIG    1       -4.873  -0.755  -0.928  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1       -6.185  -0.388  -0.601  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -6.452   0.390   0.529  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.423   0.830   1.370  0.00  0.00    +0.028 A 
ATOM     23  N   LIG    1       -2.475  -0.547  -0.201  0.00  0.00    -0.222 NA
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 4