REMARK  Name = LIG001380
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.368  -2.774   0.654  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1       -1.192  -3.121  -0.487  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.257  -3.797   1.464  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   7
ATOM      4  C   LIG    1        2.915   0.070  -0.713  0.00  0.00    +0.105 A 
ATOM      5  C   LIG    1        1.859  -0.227  -1.582  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        0.852  -1.099  -1.167  0.00  0.00    +0.031 A 
ATOM      7  C   LIG    1        0.912  -1.663   0.112  0.00  0.00    +0.109 A 
ATOM      8  C   LIG    1        1.986  -1.391   0.969  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1        2.992  -0.516   0.555  0.00  0.00    +0.030 A 
BRANCH   4  10
ATOM     10  S   LIG    1        4.188   1.182  -1.257  0.00  0.00    +0.056 S 
ATOM     11  O   LIG    1        4.414   0.955  -2.663  0.00  0.00    -0.153 OA
ATOM     12  O   LIG    1        5.253   1.171  -0.280  0.00  0.00    -0.153 OA
BRANCH  10  13
ATOM     13  N   LIG    1        3.432   2.675  -1.079  0.00  0.00    -0.204 NA
ATOM     14  H   LIG    1        3.933   3.219  -0.374  0.00  0.00    +0.144 HD
ATOM     15  H   LIG    1        2.435   2.610  -0.877  0.00  0.00    +0.144 HD
ENDBRANCH  10  13
ENDBRANCH   4  10
ENDBRANCH   1   7
BRANCH   1  16
ATOM     16  N   LIG    1       -1.278  -1.830   1.710  0.00  0.00    -0.214 N 
ATOM     17  H   LIG    1       -1.002  -1.979   2.680  0.00  0.00    +0.174 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.715  -0.526   1.339  0.00  0.00    +0.072 A 
ATOM     19  C   LIG    1       -2.466  -0.246   0.188  0.00  0.00    +0.071 A 
ATOM     20  C   LIG    1       -2.875   1.050  -0.145  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -3.601   0.959  -1.366  0.00  0.00    +0.066 A 
ATOM     22  C   LIG    1       -3.630  -0.361  -1.745  0.00  0.00    +0.103 A 
ATOM     23 CL   LIG    1       -4.300   2.262  -2.203  0.00  0.00    -0.081 Cl
ATOM     24  C   LIG    1       -2.524   2.112   0.715  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1       -1.792   1.848   1.875  0.00  0.00    +0.003 A 
ATOM     26  N   LIG    1       -2.959  -1.081  -0.795  0.00  0.00    -0.358 N 
ATOM     27  H   LIG    1       -2.788  -2.083  -0.821  0.00  0.00    +0.165 HD
ATOM     28  C   LIG    1       -1.399   0.547   2.182  0.00  0.00    +0.026 A 
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 5