REMARK  Name = LIG000802
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.854   4.428   0.241  0.00  0.00    +0.091 A 
ATOM      2  C   LIG    1       -1.892   3.017   0.095  0.00  0.00    +0.118 A 
ATOM      3  C   LIG    1       -0.574   2.611   0.126  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1       -0.239   1.273   0.019  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1       -1.267   0.414  -0.149  0.00  0.00    -0.205 NA
ATOM      6  C   LIG    1       -2.535   0.881  -0.175  0.00  0.00    +0.191 A 
ATOM      7  N   LIG    1        0.153   3.757   0.247  0.00  0.00    -0.272 N 
ATOM      8  H   LIG    1        1.162   3.849   0.263  0.00  0.00    +0.189 HD
ATOM      9  N   LIG    1       -2.920   2.158  -0.047  0.00  0.00    -0.218 NA
ATOM     10  N   LIG    1       -0.590   4.876   0.343  0.00  0.00    -0.176 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -3.800   5.392  -1.020  0.00  0.00    +0.014 C 
ATOM     12  C   LIG    1       -3.002   5.395   0.286  0.00  0.00    +0.035 C 
ATOM     13  C   LIG    1       -3.921   5.133   1.480  0.00  0.00    +0.014 C 
ENDBRANCH   1  12
BRANCH   4  14
ATOM     14  N   LIG    1        1.077   0.828   0.064  0.00  0.00    -0.323 N 
ATOM     15  H   LIG    1        1.669   1.381   0.671  0.00  0.00    +0.148 HD
BRANCH  14  16
ATOM     16  C   LIG    1        1.240  -0.606   0.258  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.713  -0.914   0.398  0.00  0.00    -0.030 A 
ATOM     18  C   LIG    1        3.262  -1.249   1.643  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1        4.629  -1.520   1.773  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        5.469  -1.452   0.653  0.00  0.00    +0.065 A 
ATOM     21  C   LIG    1        4.924  -1.109  -0.593  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        3.559  -0.842  -0.718  0.00  0.00    +0.007 A 
BRANCH  20  23
ATOM     23  N   LIG    1        6.864  -1.721   0.756  0.00  0.00    -0.240 N 
ATOM     24  N   LIG    1        7.673  -1.645  -0.335  0.00  0.00    -0.175 NA
ATOM     25  C   LIG    1        8.888  -1.953   0.119  0.00  0.00    +0.135 A 
ATOM     26  C   LIG    1        8.894  -2.230   1.492  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1        7.584  -2.075   1.879  0.00  0.00    +0.114 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   4  14
BRANCH   6  28
ATOM     28  S   LIG    1       -3.845  -0.306  -0.372  0.00  0.00    -0.085 S 
BRANCH  28  29
ATOM     29  C   LIG    1       -2.983  -1.540  -1.404  0.00  0.00    +0.093 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.924  -2.659  -1.887  0.00  0.00    +0.095 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -4.538  -3.490  -0.832  0.00  0.00    -0.308 NA
ATOM     32  C   LIG    1       -3.547  -4.277  -0.098  0.00  0.00    +0.104 C 
ATOM     33  C   LIG    1       -5.550  -4.376  -1.412  0.00  0.00    +0.104 C 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   6  28
TORSDOF 9