REMARK  Name = LIG001628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.216  -2.530  -1.018  0.00  0.00    +0.212 A 
ATOM      2  N   LIG    1        0.535  -1.370  -0.918  0.00  0.00    -0.201 NA
ATOM      3  C   LIG    1        1.362  -0.343  -0.664  0.00  0.00    +0.162 A 
ATOM      4  N   LIG    1        0.984   0.946  -0.418  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1        0.022   1.257  -0.368  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        2.100   1.730  -0.211  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1        3.221   0.895  -0.308  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1        4.501   1.455  -0.125  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        4.618   2.823   0.144  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        3.485   3.630   0.234  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        2.203   3.099   0.060  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1        2.739  -0.412  -0.578  0.00  0.00    +0.137 A 
ATOM     13  N   LIG    1        3.362  -1.604  -0.745  0.00  0.00    -0.143 NA
ATOM     14  N   LIG    1        2.567  -2.664  -0.946  0.00  0.00    -0.122 NA
ENDROOT
BRANCH   1  15
ATOM     15  S   LIG    1        0.272  -4.030  -1.200  0.00  0.00    -0.075 S 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.296  -3.387  -1.861  0.00  0.00    +0.173 C 
BRANCH  16  18
ATOM     17  O   LIG    1       -2.977  -3.619  -0.157  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -2.211  -2.870  -0.756  0.00  0.00    +0.229 C 
ATOM     19  N   LIG    1       -2.085  -1.516  -0.546  0.00  0.00    -0.270 N 
ATOM     20  H   LIG    1       -1.274  -1.063  -0.955  0.00  0.00    +0.156 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.739  -0.700   0.371  0.00  0.00    +0.125 A 
ATOM     22  N   LIG    1       -2.223   0.553   0.441  0.00  0.00    -0.239 NA
ATOM     23  C   LIG    1       -2.812   1.411   1.314  0.00  0.00    +0.132 A 
ATOM     24  C   LIG    1       -3.890   1.081   2.117  0.00  0.00    +0.059 A 
ATOM     25 CL   LIG    1       -4.574   2.228   3.193  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1       -4.404  -0.204   2.026  0.00  0.00    +0.025 A 
ATOM     27  C   LIG    1       -3.822  -1.111   1.138  0.00  0.00    +0.045 A 
ENDBRANCH  19  21
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 4