REMARK  Name = LIG001515
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.145   0.850   0.243  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1       -1.259   1.734  -0.412  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -1.177   3.076  -0.011  0.00  0.00    +0.016 A 
ATOM      4  C   LIG    1       -1.956   3.544   1.045  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -2.825   2.677   1.698  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.921   1.340   1.298  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -2.788  -2.818  -0.440  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -2.966  -1.526   0.319  0.00  0.00    +0.214 C 
ATOM      9  N   LIG    1       -2.205  -0.496  -0.194  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1       -1.570  -0.733  -0.955  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1       -3.708  -1.477   1.295  0.00  0.00    -0.276 OA
ENDBRANCH   1   9
BRANCH   2  12
ATOM     12  S   LIG    1       -0.240   1.209  -1.795  0.00  0.00    -0.123 S 
BRANCH  12  13
ATOM     13  C   LIG    1        1.373   1.028  -0.944  0.00  0.00    +0.087 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.449  -0.196  -0.021  0.00  0.00    +0.086 C 
ATOM     15  C   LIG    1        1.346  -1.479  -0.824  0.00  0.00    +0.223 C 
ATOM     16  O   LIG    1        0.268  -2.024  -1.052  0.00  0.00    -0.275 OA
ATOM     17  N   LIG    1        2.515  -1.991  -1.328  0.00  0.00    -0.256 N 
ATOM     18  H   LIG    1        2.423  -2.845  -1.862  0.00  0.00    +0.157 HD
ATOM     19  C   LIG    1        3.794  -1.685  -0.939  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1        4.748  -2.362  -1.311  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1        3.964  -0.459  -0.075  0.00  0.00    +0.097 C 
ATOM     22  C   LIG    1        2.742  -0.226   0.800  0.00  0.00    +0.023 C 
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   2  12
TORSDOF 4