REMARK  Name = LIG001086
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.113  -3.728  -1.815  0.00  0.00    +0.052 A 
ATOM      2  C   LIG    1       -0.393  -2.658  -2.350  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -0.389  -1.401  -1.713  0.00  0.00    -0.009 A 
ATOM      4  C   LIG    1        0.377  -0.269  -2.353  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1        1.505   0.242  -1.549  0.00  0.00    -0.167 NA
ATOM      6  C   LIG    1        1.071   1.167  -0.446  0.00  0.00    +0.102 C 
ATOM      7  C   LIG    1        0.211   0.439   0.616  0.00  0.00    +0.126 C 
ATOM      8  N   LIG    1       -1.134   0.070   0.085  0.00  0.00    -0.322 N 
ATOM      9  C   LIG    1       -1.127  -1.200  -0.525  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -1.849  -2.292  -0.013  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -1.842  -3.540  -0.644  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   5  12
ATOM     12  S   LIG    1        2.920  -0.679  -1.530  0.00  0.00    +0.068 S 
ATOM     13  O   LIG    1        3.000  -1.373  -2.801  0.00  0.00    -0.152 OA
ATOM     14  O   LIG    1        4.020   0.148  -1.086  0.00  0.00    -0.152 OA
BRANCH  12  15
ATOM     15  C   LIG    1        2.808  -2.012  -0.343  0.00  0.00    +0.143 A 
ATOM     16  S   LIG    1        3.263  -1.675   1.274  0.00  0.00    -0.077 S 
ATOM     17  C   LIG    1        2.934  -3.275   1.777  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        2.526  -4.071   0.731  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        2.474  -3.347  -0.494  0.00  0.00    +0.036 A 
ENDBRANCH  12  15
ENDBRANCH   5  12
BRANCH   1  21
ATOM     20  N   LIG    1       -1.073  -6.045  -2.978  0.00  0.00    -0.191 NA
ATOM     21  C   LIG    1       -1.096  -5.007  -2.460  0.00  0.00    +0.099 C 
ENDBRANCH   1  21
BRANCH   8  22
ATOM     22  C   LIG    1       -2.244   0.433   0.995  0.00  0.00    +0.159 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.598   0.461   0.383  0.00  0.00    +0.053 A 
ATOM     24  N   LIG    1       -3.807   0.614  -0.965  0.00  0.00    -0.347 N 
ATOM     25  H   LIG    1       -3.080   0.690  -1.663  0.00  0.00    +0.167 HD
ATOM     26  C   LIG    1       -5.153   0.594  -1.181  0.00  0.00    +0.196 A 
ATOM     27  N   LIG    1       -5.818   0.452  -0.057  0.00  0.00    -0.244 NA
ATOM     28  C   LIG    1       -4.862   0.370   0.922  0.00  0.00    +0.135 A 
ENDBRANCH  22  23
ENDBRANCH   8  22
BRANCH   6  29
ATOM     29  C   LIG    1        2.231   1.975   0.174  0.00  0.00    +0.057 C 
BRANCH  29  30
ATOM     30  C   LIG    1        1.773   3.138   1.030  0.00  0.00    -0.046 A 
ATOM     31  C   LIG    1        1.965   3.117   2.419  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        1.528   4.180   3.210  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        0.901   5.277   2.622  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        0.716   5.314   1.241  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        1.153   4.253   0.448  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH   6  29
TORSDOF 7