REMARK  Name = LIG001989
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.829   1.713   0.455  0.00  0.00    +0.113 A 
ATOM      2  C   LIG    1        0.941   1.137  -0.458  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1       -0.362   0.973  -0.033  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1       -1.501   0.395  -0.755  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -2.609   0.530   0.068  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -2.248   1.020   1.392  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -1.431  -0.111  -1.857  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -0.802   1.354   1.235  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        0.075   1.931   2.138  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        1.403   2.117   1.739  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -3.896  -0.115  -0.175  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -3.826  -1.622   0.118  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -3.087  -2.114   0.970  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -4.737  -2.408  -0.549  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -4.713  -3.395  -0.330  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -5.740  -2.005  -1.395  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -6.572  -2.804  -1.816  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -5.818  -0.527  -1.700  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -4.454   0.134  -1.576  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  S   LIG    1        3.513   1.975  -0.026  0.00  0.00    +0.099 S 
ATOM     21  O   LIG    1        3.560   2.139  -1.469  0.00  0.00    -0.146 OA
ATOM     22  O   LIG    1        4.127   2.934   0.874  0.00  0.00    -0.146 OA
BRANCH  20  26
ATOM     23  C   LIG    1        7.034  -1.908  -0.138  0.00  0.00    +0.047 C 
ATOM     24  C   LIG    1        5.849  -1.092   0.211  0.00  0.00    -0.011 A 
ATOM     25  C   LIG    1        5.458   0.114  -0.333  0.00  0.00    +0.139 A 
ATOM     26  N   LIG    1        4.292   0.471   0.301  0.00  0.00    -0.136 N 
ATOM     27  N   LIG    1        3.931  -0.413   1.272  0.00  0.00    -0.158 NA
ATOM     28  C   LIG    1        4.868  -1.361   1.194  0.00  0.00    +0.139 A 
ENDBRANCH  20  26
ENDBRANCH   1  20
TORSDOF 3