REMARK  Name = LIG000858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.569   0.813   1.267  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        0.374   0.610   0.929  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -0.682   0.114   1.617  0.00  0.00    -0.308 N 
ATOM      4  H   LIG    1        0.106  -0.097   2.712  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.757  -0.392   2.319  0.00  0.00    +0.178 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -3.045  -0.332   1.544  0.00  0.00    +0.125 A 
ATOM      7  N   LIG    1       -4.260  -0.367   2.135  0.00  0.00    -0.341 N 
ATOM      8  H   LIG    1       -4.495  -0.450   3.157  0.00  0.00    +0.167 HD
ATOM      9  C   LIG    1       -5.220  -0.276   1.206  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1       -4.606  -0.180  -0.024  0.00  0.00    +0.089 A 
ATOM     11  C   LIG    1       -5.345  -0.066  -1.190  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -6.720  -0.044  -1.158  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -7.340  -0.139   0.067  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -6.614  -0.253   1.231  0.00  0.00    +0.028 A 
ATOM     15  N   LIG    1       -3.276  -0.220   0.237  0.00  0.00    -0.231 NA
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  16
ATOM     16  C   LIG    1        0.092   0.998  -0.525  0.00  0.00    +0.151 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.326   1.633  -1.128  0.00  0.00    +0.059 A 
ATOM     18  N   LIG    1        2.485   1.045  -1.107  0.00  0.00    -0.229 NA
ATOM     19  C   LIG    1        3.555   1.617  -1.605  0.00  0.00    +0.164 A 
ATOM     20  S   LIG    1        2.883   3.134  -2.163  0.00  0.00    -0.060 S 
ATOM     21  C   LIG    1        1.267   2.882  -1.694  0.00  0.00    +0.072 A 
BRANCH  19  22
ATOM     22  N   LIG    1        4.915   1.230  -1.721  0.00  0.00    -0.279 N 
ATOM     23  H   LIG    1        5.543   1.915  -2.268  0.00  0.00    +0.155 HD
BRANCH  22  24
ATOM     24  C   LIG    1        5.456   0.047  -1.194  0.00  0.00    +0.124 A 
ATOM     25  N   LIG    1        6.825  -0.126  -1.332  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1        7.462  -1.183  -0.839  0.00  0.00    +0.113 A 
ATOM     27  C   LIG    1        6.798  -2.185  -0.151  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        5.442  -2.060   0.010  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        4.798  -0.939  -0.519  0.00  0.00    +0.044 A 
ENDBRANCH  22  24
ENDBRANCH  19  22
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 6