REMARK  Name = LIG000807
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.810  -0.797  -2.199  0.00  0.00    +0.190 A 
ATOM      2  N   LIG    1       -2.771  -0.891  -1.270  0.00  0.00    -0.218 NA
ATOM      3  C   LIG    1       -2.759   0.124  -0.385  0.00  0.00    +0.118 A 
ATOM      4  C   LIG    1       -1.836   1.149  -0.425  0.00  0.00    +0.124 A 
ATOM      5  N   LIG    1       -2.171   1.975   0.605  0.00  0.00    -0.272 N 
ATOM      6  H   LIG    1       -1.730   2.850   0.863  0.00  0.00    +0.189 HD
ATOM      7  N   LIG    1       -3.221   1.554   1.335  0.00  0.00    -0.176 NA
ATOM      8  C   LIG    1       -0.850   1.181  -1.397  0.00  0.00    +0.149 A 
ATOM      9  C   LIG    1       -3.592   0.413   0.726  0.00  0.00    +0.091 A 
ATOM     10  N   LIG    1       -0.879   0.176  -2.298  0.00  0.00    -0.205 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -4.757  -0.392   1.223  0.00  0.00    +0.035 C 
ATOM     12  C   LIG    1       -6.067   0.394   1.141  0.00  0.00    +0.014 C 
ATOM     13  C   LIG    1       -4.526  -0.907   2.645  0.00  0.00    +0.014 C 
ENDBRANCH   9  11
BRANCH   1  15
ATOM     14  C   LIG    1       -3.088  -3.125  -2.955  0.00  0.00    +0.093 C 
ATOM     15  S   LIG    1       -1.700  -2.071  -3.442  0.00  0.00    -0.089 S 
ENDBRANCH   1  15
BRANCH   8  16
ATOM     16  N   LIG    1        0.098   2.196  -1.465  0.00  0.00    -0.323 N 
ATOM     17  H   LIG    1        0.311   2.602  -0.564  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.294   1.928  -2.256  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.370   1.314  -1.389  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        3.261   2.125  -0.671  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        4.242   1.558   0.151  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        4.339   0.166   0.272  0.00  0.00    +0.065 A 
ATOM     23  C   LIG    1        3.444  -0.648  -0.438  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        2.468  -0.077  -1.259  0.00  0.00    +0.007 A 
BRANCH  22  25
ATOM     25  N   LIG    1        5.325  -0.439   1.102  0.00  0.00    -0.240 N 
ATOM     26  N   LIG    1        5.409  -1.791   1.220  0.00  0.00    -0.175 NA
ATOM     27  C   LIG    1        6.423  -2.000   2.058  0.00  0.00    +0.135 A 
ATOM     28  C   LIG    1        7.011  -0.807   2.497  0.00  0.00    +0.041 A 
ATOM     29  C   LIG    1        6.290   0.182   1.871  0.00  0.00    +0.114 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   8  16
TORSDOF 6