REMARK  Name = LIG001199
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.410  -0.546   2.615  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1       -0.975  -1.865   2.414  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.146  -0.166   3.897  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   7
ATOM      4  C   LIG    1        2.838   0.139  -0.507  0.00  0.00    +0.105 A 
ATOM      5  C   LIG    1        1.872  -0.849  -0.725  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        0.879  -1.065   0.232  0.00  0.00    +0.031 A 
ATOM      7  C   LIG    1        0.849  -0.274   1.386  0.00  0.00    +0.109 A 
ATOM      8  C   LIG    1        1.819   0.711   1.607  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1        2.813   0.925   0.651  0.00  0.00    +0.030 A 
BRANCH   4  10
ATOM     10  S   LIG    1        4.077   0.437  -1.736  0.00  0.00    +0.056 S 
ATOM     11  O   LIG    1        3.616  -0.070  -3.007  0.00  0.00    -0.153 OA
ATOM     12  O   LIG    1        4.587   1.779  -1.575  0.00  0.00    -0.153 OA
BRANCH  10  13
ATOM     13  N   LIG    1        5.307  -0.591  -1.242  0.00  0.00    -0.204 NA
ATOM     14  H   LIG    1        5.476  -1.300  -1.957  0.00  0.00    +0.144 HD
ATOM     15  H   LIG    1        6.137  -0.049  -0.998  0.00  0.00    +0.144 HD
ENDBRANCH  10  13
ENDBRANCH   4  10
ENDBRANCH   1   7
BRANCH   1  16
ATOM     16  N   LIG    1       -1.573   0.615   2.249  0.00  0.00    -0.214 N 
ATOM     17  H   LIG    1       -1.434   1.468   2.788  0.00  0.00    +0.174 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.068   0.754   0.920  0.00  0.00    +0.072 A 
ATOM     19  C   LIG    1       -2.683  -0.281   0.202  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1       -3.159  -0.110  -1.101  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.712  -1.352  -1.518  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -3.569  -2.243  -0.481  0.00  0.00    +0.083 A 
ATOM     23  C   LIG    1       -3.017   1.148  -1.717  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -2.416   2.195  -1.012  0.00  0.00    +0.003 A 
ATOM     25  N   LIG    1       -2.960  -1.586   0.553  0.00  0.00    -0.359 N 
ATOM     26  H   LIG    1       -2.684  -2.000   1.439  0.00  0.00    +0.165 HD
ATOM     27  C   LIG    1       -1.954   1.999   0.289  0.00  0.00    +0.026 A 
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 5