REMARK  Name = LIG001855
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.480   2.092  -1.215  0.00  0.00    -0.026 S 
ATOM      2  O   LIG    1       -0.164   1.830  -2.491  0.00  0.00    -0.174 OA
ATOM      3  O   LIG    1        1.647   2.955  -1.182  0.00  0.00    -0.174 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -0.724   2.784  -0.081  0.00  0.00    +0.201 C 
BRANCH   4   8
ATOM      5  C   LIG    1       -3.776  -0.109   0.934  0.00  0.00    +0.120 A 
ATOM      6  C   LIG    1       -3.737   0.461  -0.340  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -2.758   1.400  -0.673  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.790   1.778   0.264  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -1.840   1.211   1.546  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -2.824   0.272   1.877  0.00  0.00    +0.046 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -4.894  -1.591   2.420  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -4.784  -1.013   1.125  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
ENDBRANCH   4   8
ENDBRANCH   1   4
BRANCH   1  13
ATOM     13  C   LIG    1        0.934   0.500  -0.518  0.00  0.00    +0.179 C 
BRANCH  13  14
ATOM     14  C   LIG    1        2.311   0.063  -1.018  0.00  0.00    +0.097 C 
ATOM     15  C   LIG    1        3.406   0.596  -0.106  0.00  0.00    +0.224 C 
ATOM     16  O   LIG    1        3.199   1.333   0.853  0.00  0.00    -0.275 OA
ATOM     17  N   LIG    1        4.667   0.134  -0.387  0.00  0.00    -0.256 N 
ATOM     18  H   LIG    1        5.381   0.495   0.232  0.00  0.00    +0.157 HD
ATOM     19  C   LIG    1        4.920  -1.149  -0.800  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1        5.984  -1.702  -0.539  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1        3.825  -1.829  -1.590  0.00  0.00    +0.097 C 
ATOM     22  C   LIG    1        2.448  -1.458  -1.056  0.00  0.00    +0.023 C 
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 5