REMARK  Name = LIG000409
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.305   0.717   1.365  0.00  0.00    +0.164 A 
ATOM      2  S   LIG    1       -2.604   1.585   0.624  0.00  0.00    -0.060 S 
ATOM      3  C   LIG    1       -1.639   2.994   0.556  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.408   2.750   1.129  0.00  0.00    +0.059 A 
ATOM      5  N   LIG    1       -0.237   1.455   1.605  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   1   6
ATOM      6  N   LIG    1       -1.366  -0.575   1.769  0.00  0.00    -0.279 N 
ATOM      7  H   LIG    1       -0.497  -0.897   2.177  0.00  0.00    +0.155 HD
BRANCH   6  10
ATOM      8  C   LIG    1       -3.011  -2.486  -0.856  0.00  0.00    +0.043 A 
ATOM      9  N   LIG    1       -2.429  -1.447  -0.209  0.00  0.00    -0.237 NA
ATOM     10  C   LIG    1       -1.973  -1.627   1.048  0.00  0.00    +0.125 A 
ATOM     11  C   LIG    1       -2.104  -2.858   1.689  0.00  0.00    +0.044 A 
ATOM     12  C   LIG    1       -2.707  -3.922   1.024  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -3.171  -3.735  -0.270  0.00  0.00    +0.023 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -4.950  -1.703  -2.228  0.00  0.00    +0.010 C 
ATOM     15  C   LIG    1       -3.519  -2.219  -2.248  0.00  0.00    +0.052 C 
ENDBRANCH   8  15
ENDBRANCH   6  10
ENDBRANCH   1   6
BRANCH   4  16
ATOM     16  C   LIG    1        0.717   3.719   1.285  0.00  0.00    +0.152 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.912   3.377   0.406  0.00  0.00    +0.224 C 
ATOM     18  N   LIG    1        2.318   2.067   0.529  0.00  0.00    -0.264 N 
ATOM     19  H   LIG    1        1.727   1.428   1.055  0.00  0.00    +0.157 HD
ATOM     20  O   LIG    1        2.444   4.254  -0.271  0.00  0.00    -0.275 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.380   1.455  -0.080  0.00  0.00    +0.165 A 
ATOM     22  S   LIG    1        4.497   2.288  -1.060  0.00  0.00    -0.057 S 
ATOM     23  C   LIG    1        5.356   0.829  -1.320  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        6.572   0.798  -2.171  0.00  0.00    +0.053 C 
ATOM     25  C   LIG    1        4.734  -0.191  -0.632  0.00  0.00    +0.124 A 
ATOM     26  N   LIG    1        3.607   0.171   0.081  0.00  0.00    -0.233 NA
ENDBRANCH  18  21
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6