REMARK  Name = LIG000203
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.663   0.623   0.172  0.00  0.00    +0.164 A 
ATOM      2  S   LIG    1       -0.303   2.106   0.978  0.00  0.00    -0.060 S 
ATOM      3  C   LIG    1       -1.959   2.361   1.304  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -2.703   1.328   0.778  0.00  0.00    +0.059 A 
ATOM      5  N   LIG    1       -1.954   0.350   0.138  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   1   6
ATOM      6  N   LIG    1        0.215  -0.207  -0.425  0.00  0.00    -0.279 N 
ATOM      7  H   LIG    1       -0.190  -0.876  -1.071  0.00  0.00    +0.155 HD
BRANCH   6  11
ATOM      8  C   LIG    1        3.746  -2.059  -2.961  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1        3.337  -1.153  -1.839  0.00  0.00    +0.040 A 
ATOM     10  N   LIG    1        2.011  -1.044  -1.580  0.00  0.00    -0.237 NA
ATOM     11  C   LIG    1        1.593  -0.228  -0.584  0.00  0.00    +0.125 A 
ATOM     12  C   LIG    1        2.509   0.467   0.193  0.00  0.00    +0.044 A 
ATOM     13  C   LIG    1        3.873   0.349  -0.075  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        4.298  -0.469  -1.110  0.00  0.00    +0.023 A 
ENDBRANCH   6  11
ENDBRANCH   1   6
BRANCH   4  15
ATOM     15  C   LIG    1       -4.185   1.169   0.840  0.00  0.00    +0.151 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.579   0.199   1.932  0.00  0.00    +0.216 C 
ATOM     17  O   LIG    1       -5.206   0.526   2.935  0.00  0.00    -0.276 OA
ATOM     18  N   LIG    1       -4.218  -1.103   1.720  0.00  0.00    -0.329 N 
ATOM     19  H   LIG    1       -3.424  -1.288   1.112  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1       -4.357  -1.736   2.497  0.00  0.00    +0.145 HD
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 4