REMARK  Name = LIG001783
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.447  -0.447   1.825  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1       -3.239  -1.230   1.071  0.00  0.00    -0.218 NA
ATOM      3  C   LIG    1       -2.567  -1.879   0.099  0.00  0.00    +0.118 A 
ATOM      4  C   LIG    1       -1.210  -1.738  -0.095  0.00  0.00    +0.124 A 
ATOM      5  N   LIG    1       -0.899  -2.558  -1.135  0.00  0.00    -0.272 N 
ATOM      6  H   LIG    1        0.021  -2.731  -1.524  0.00  0.00    +0.189 HD
ATOM      7  N   LIG    1       -1.961  -3.192  -1.671  0.00  0.00    -0.176 NA
ATOM      8  C   LIG    1       -0.467  -0.907   0.716  0.00  0.00    +0.149 A 
ATOM      9  C   LIG    1       -2.990  -2.788  -0.904  0.00  0.00    +0.091 A 
ATOM     10  N   LIG    1       -1.109  -0.282   1.714  0.00  0.00    -0.205 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -4.386  -3.283  -1.149  0.00  0.00    +0.035 C 
ATOM     12  C   LIG    1       -4.914  -2.833  -2.512  0.00  0.00    +0.014 C 
ATOM     13  C   LIG    1       -4.484  -4.803  -1.008  0.00  0.00    +0.014 C 
ENDBRANCH   9  11
BRANCH   8  14
ATOM     14  N   LIG    1        0.911  -0.703   0.573  0.00  0.00    -0.323 N 
ATOM     15  H   LIG    1        1.187  -0.281   1.462  0.00  0.00    +0.148 HD
BRANCH  14  16
ATOM     16  C   LIG    1        1.166   0.284  -0.478  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.628   0.662  -0.454  0.00  0.00    -0.030 A 
ATOM     18  C   LIG    1        3.043   1.879   0.105  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1        4.399   2.226   0.140  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        5.361   1.352  -0.382  0.00  0.00    +0.065 A 
ATOM     21  C   LIG    1        4.951   0.129  -0.932  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        3.596  -0.213  -0.963  0.00  0.00    +0.007 A 
BRANCH  20  23
ATOM     23  N   LIG    1        6.747   1.679  -0.361  0.00  0.00    -0.240 N 
ATOM     24  N   LIG    1        7.675   0.827  -0.875  0.00  0.00    -0.175 NA
ATOM     25  C   LIG    1        8.843   1.443  -0.691  0.00  0.00    +0.135 A 
ATOM     26  C   LIG    1        8.701   2.688  -0.065  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1        7.347   2.818   0.137  0.00  0.00    +0.114 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   8  14
BRANCH   1  28
ATOM     28  S   LIG    1       -3.256   0.457   3.124  0.00  0.00    -0.083 S 
BRANCH  28  29
ATOM     29  C   LIG    1       -2.866   2.155   2.569  0.00  0.00    +0.108 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -5.033   2.348   1.183  0.00  0.00    +0.038 C 
ATOM     31  C   LIG    1       -3.534   2.617   1.262  0.00  0.00    +0.122 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -2.874   2.036   0.135  0.00  0.00    -0.391 OA
ATOM     33  H   LIG    1       -3.424   2.200  -0.651  0.00  0.00    +0.210 HD
ENDBRANCH  31  32
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 9