REMARK  Name = LIG000099
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.601  -0.931   0.081  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.502  -0.440   0.789  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1       -0.609  -1.317   1.418  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1       -0.831  -2.694   1.362  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -1.935  -3.192   0.672  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1       -2.815  -2.314   0.035  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -4.649   1.793  -1.541  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -3.457   1.256  -0.789  0.00  0.00    +0.214 C 
ATOM      9  N   LIG    1       -3.528  -0.112  -0.598  0.00  0.00    -0.286 N 
ATOM     10  H   LIG    1       -4.305  -0.592  -1.036  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1       -2.545   2.001  -0.448  0.00  0.00    -0.276 OA
ENDBRANCH   1   9
BRANCH   3  12
ATOM     12  S   LIG    1        0.798  -0.669   2.301  0.00  0.00    -0.124 S 
BRANCH  12  13
ATOM     13  C   LIG    1        2.091  -0.910   1.032  0.00  0.00    +0.087 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.960  -0.012  -0.207  0.00  0.00    +0.086 C 
ATOM     15  C   LIG    1        3.141  -0.310  -1.109  0.00  0.00    +0.223 C 
ATOM     16  O   LIG    1        3.147  -1.256  -1.893  0.00  0.00    -0.275 OA
ATOM     17  N   LIG    1        4.251   0.485  -0.961  0.00  0.00    -0.256 N 
ATOM     18  H   LIG    1        5.039   0.259  -1.552  0.00  0.00    +0.157 HD
ATOM     19  C   LIG    1        4.379   1.630  -0.214  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1        5.424   2.274  -0.224  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1        3.201   2.011   0.647  0.00  0.00    +0.097 C 
ATOM     22  C   LIG    1        1.900   1.496   0.052  0.00  0.00    +0.023 C 
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   3  12
TORSDOF 4