REMARK  Name = LIG001077
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.148   0.100  -1.593  0.00  0.00    +0.141 C 
ATOM      2  N   LIG    1       -3.052   0.231  -0.648  0.00  0.00    -0.245 N 
ATOM      3  C   LIG    1       -1.761   0.075  -1.155  0.00  0.00    +0.225 C 
ATOM      4  O   LIG    1       -1.529  -0.179  -2.338  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -0.617   0.131  -0.160  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1       -0.998   1.046   1.000  0.00  0.00    +0.023 C 
ATOM      7  C   LIG    1       -2.257   0.549   1.677  0.00  0.00    +0.097 C 
ATOM      8  C   LIG    1       -3.393   0.379   0.696  0.00  0.00    +0.222 C 
ATOM      9  O   LIG    1       -4.553   0.323   1.107  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -0.249  -1.316   0.197  0.00  0.00    +0.087 C 
BRANCH  10  11
ATOM     11  S   LIG    1        1.101  -1.482   1.422  0.00  0.00    -0.124 S 
BRANCH  11  12
ATOM     12  C   LIG    1        2.469  -0.774   0.523  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        3.201   0.261   1.116  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        4.282   0.838   0.445  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1        4.640   0.373  -0.818  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1        5.970   1.082  -1.646  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        3.929  -0.668  -1.412  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1        2.848  -1.244  -0.739  0.00  0.00    +0.016 A 
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   5  10
TORSDOF 3