REMARK  Name = LIG001396
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.569   1.817   0.976  0.00  0.00    +0.091 A 
ATOM      2  C   LIG    1       -3.035   0.506   0.897  0.00  0.00    +0.119 A 
ATOM      3  C   LIG    1       -1.700   0.674   0.576  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1       -0.850  -0.411   0.407  0.00  0.00    +0.150 A 
ATOM      5  N   LIG    1       -1.393  -1.628   0.598  0.00  0.00    -0.195 NA
ATOM      6  C   LIG    1       -2.707  -1.697   0.911  0.00  0.00    +0.272 A 
ATOM      7  N   LIG    1       -1.512   2.023   0.523  0.00  0.00    -0.272 N 
ATOM      8  H   LIG    1       -0.643   2.519   0.355  0.00  0.00    +0.189 HD
ATOM      9  N   LIG    1       -3.606  -0.706   1.072  0.00  0.00    -0.208 NA
ATOM     10  N   LIG    1       -2.628   2.746   0.734  0.00  0.00    -0.176 NA
ENDROOT
BRANCH   6  11
ATOM     11  S   LIG    1       -3.343  -3.354   1.106  0.00  0.00    +0.029 S 
ATOM     12  O   LIG    1       -2.704  -3.957   2.265  0.00  0.00    -0.167 OA
ATOM     13  O   LIG    1       -3.309  -4.008  -0.193  0.00  0.00    -0.167 OA
ATOM     14  C   LIG    1       -5.051  -3.128   1.523  0.00  0.00    +0.204 C 
ENDBRANCH   6  11
BRANCH   1  16
ATOM     15  C   LIG    1       -5.635   2.958   0.122  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -4.985   2.208   1.286  0.00  0.00    +0.035 C 
ATOM     17  C   LIG    1       -5.078   3.028   2.575  0.00  0.00    +0.014 C 
ENDBRANCH   1  16
BRANCH   4  18
ATOM     18  N   LIG    1        0.489  -0.259   0.076  0.00  0.00    -0.323 N 
ATOM     19  H   LIG    1        0.670   0.512  -0.554  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.188  -1.482  -0.298  0.00  0.00    +0.138 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.592  -1.122  -0.731  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        3.536  -0.698   0.214  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        4.830  -0.347  -0.181  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        5.201  -0.414  -1.531  0.00  0.00    +0.065 A 
ATOM     25  C   LIG    1        4.261  -0.835  -2.481  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        2.965  -1.183  -2.081  0.00  0.00    +0.007 A 
BRANCH  24  27
ATOM     27  N   LIG    1        6.526  -0.053  -1.910  0.00  0.00    -0.240 N 
ATOM     28  N   LIG    1        7.428   0.370  -0.985  0.00  0.00    -0.175 NA
ATOM     29  C   LIG    1        8.539   0.617  -1.678  0.00  0.00    +0.135 A 
ATOM     30  C   LIG    1        8.384   0.367  -3.047  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1        7.084  -0.062  -3.173  0.00  0.00    +0.114 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   4  18
TORSDOF 6