REMARK  Name = LIG000590
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.161  -1.731   2.023  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1       -0.211  -2.204   1.115  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        0.849  -1.368   0.822  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        1.979  -1.552  -0.086  0.00  0.00    +0.255 C 
ATOM      5  N   LIG    1        2.748  -0.422   0.005  0.00  0.00    -0.222 N 
ATOM      6  C   LIG    1        2.193   0.491   0.855  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1        2.567   1.615   1.126  0.00  0.00    -0.270 OA
ATOM      8  O   LIG    1        2.157  -2.546  -0.763  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.983  -0.120   1.399  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1        0.063   0.368   2.304  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -1.023  -0.458   2.618  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        3.905  -0.183  -0.848  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1        3.512   0.817  -1.939  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1        2.409   0.827  -2.483  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        4.481   1.711  -2.311  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        4.224   2.316  -3.081  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        5.318   2.327  -1.421  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        5.839   3.405  -1.695  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        5.480   1.677  -0.070  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1        5.191   0.185  -0.106  0.00  0.00    +0.041 C 
ENDBRANCH   5  12
BRANCH   1  21
ATOM     21  N   LIG    1       -2.305  -2.508   2.357  0.00  0.00    -0.216 N 
ATOM     22  H   LIG    1       -2.769  -2.333   3.247  0.00  0.00    +0.174 HD
BRANCH  21  23
ATOM     23  S   LIG    1       -3.416  -2.929   1.152  0.00  0.00    +0.072 S 
ATOM     24  O   LIG    1       -2.754  -3.752   0.163  0.00  0.00    -0.150 OA
ATOM     25  O   LIG    1       -4.599  -3.389   1.846  0.00  0.00    -0.150 OA
BRANCH  23  30
ATOM     26  C   LIG    1       -4.753   2.422  -1.387  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -4.404   1.110  -0.747  0.00  0.00    -0.050 A 
ATOM     28  C   LIG    1       -5.056   0.699   0.424  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -4.757  -0.535   1.005  0.00  0.00    +0.029 A 
ATOM     30  C   LIG    1       -3.802  -1.361   0.407  0.00  0.00    +0.109 A 
ATOM     31  C   LIG    1       -3.172  -0.981  -0.780  0.00  0.00    +0.029 A 
ATOM     32  C   LIG    1       -3.473   0.255  -1.352  0.00  0.00    +0.005 A 
ENDBRANCH  23  30
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 4