REMARK  Name = LIG001040
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.455  -1.281  -3.219  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        0.173  -0.502  -2.508  0.00  0.00    +0.223 C 
ATOM      3  N   LIG    1       -0.211  -0.030  -1.272  0.00  0.00    -0.264 N 
ATOM      4  H   LIG    1        0.384   0.600  -0.754  0.00  0.00    +0.157 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.343  -0.455  -0.637  0.00  0.00    +0.165 A 
ATOM      6  S   LIG    1       -1.572   0.245   0.904  0.00  0.00    -0.046 S 
ATOM      7  C   LIG    1       -3.020  -0.653   1.077  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1       -3.212  -1.435  -0.044  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -2.256  -1.302  -1.034  0.00  0.00    -0.232 NA
BRANCH   7  10
ATOM     10  S   LIG    1       -4.039  -0.559   2.497  0.00  0.00    -0.112 S 
BRANCH  10  11
ATOM     11  C   LIG    1       -5.203   0.744   1.992  0.00  0.00    +0.111 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -6.201   0.281   0.970  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -7.284  -0.515   1.332  0.00  0.00    +0.115 A 
ATOM     14  N   LIG    1       -8.213  -0.976   0.465  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1       -8.055  -0.636  -0.832  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -7.014   0.148  -1.299  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -6.076   0.615  -0.383  0.00  0.00    +0.007 A 
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   7  10
ENDBRANCH   3   5
BRANCH   2  18
ATOM     18  C   LIG    1        1.480   0.099  -3.012  0.00  0.00    +0.131 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.566   0.216  -1.967  0.00  0.00    -0.039 A 
ATOM     20  C   LIG    1        3.101  -0.933  -1.372  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        4.088  -0.827  -0.387  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        4.569   0.425   0.025  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1        4.032   1.570  -0.585  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        3.044   1.469  -1.569  0.00  0.00    +0.005 A 
BRANCH  22  25
ATOM     25  C   LIG    1        5.607   0.535   1.063  0.00  0.00    -0.015 A 
ATOM     26  C   LIG    1        5.456  -0.086   2.308  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1        6.460   0.048   3.255  0.00  0.00    +0.111 A 
ATOM     28  N   LIG    1        7.594   0.749   3.052  0.00  0.00    -0.263 NA
ATOM     29  C   LIG    1        7.731   1.339   1.847  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        6.782   1.263   0.839  0.00  0.00    +0.028 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 7