REMARK  Name = LIG000238
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.770   1.424   1.966  0.00  0.00    +0.058 A 
ATOM      2  N   LIG    1       -0.671   1.099   0.618  0.00  0.00    -0.240 NA
ATOM      3  C   LIG    1       -1.687   0.334   0.253  0.00  0.00    +0.150 A 
ATOM      4  S   LIG    1       -2.764  -0.090   1.522  0.00  0.00    -0.072 S 
ATOM      5  C   LIG    1       -1.855   0.868   2.613  0.00  0.00    +0.071 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -1.783  -0.213  -1.095  0.00  0.00    +0.236 C 
ATOM      7  O   LIG    1       -0.788  -0.477  -1.777  0.00  0.00    -0.283 OA
BRANCH   6   8
ATOM      8  C   LIG    1       -3.119  -0.464  -1.717  0.00  0.00    +0.114 A 
ATOM      9  N   LIG    1       -4.182   0.223  -1.231  0.00  0.00    -0.237 NA
ATOM     10  C   LIG    1       -5.376   0.007  -1.822  0.00  0.00    +0.107 A 
ATOM     11 BR   LIG    1       -6.871   0.951  -1.138  0.00  0.00    -0.029 Br
ATOM     12  C   LIG    1       -5.562  -0.859  -2.889  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1       -4.457  -1.545  -3.383  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -3.213  -1.344  -2.793  0.00  0.00    +0.032 A 
ENDBRANCH   6   8
ENDBRANCH   3   6
BRANCH   1  15
ATOM     15  C   LIG    1        0.284   2.300   2.561  0.00  0.00    +0.152 C 
BRANCH  15  18
ATOM     16  N   LIG    1        2.015   1.036   1.436  0.00  0.00    -0.264 N 
ATOM     17  H   LIG    1        1.349   0.996   0.668  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1        1.639   1.612   2.629  0.00  0.00    +0.224 C 
ATOM     19  O   LIG    1        2.297   1.656   3.666  0.00  0.00    -0.275 OA
BRANCH  16  23
ATOM     20  C   LIG    1        5.760  -1.690  -0.763  0.00  0.00    +0.053 C 
ATOM     21  C   LIG    1        4.927  -0.899   0.175  0.00  0.00    +0.008 A 
ATOM     22  S   LIG    1        3.373  -0.331  -0.281  0.00  0.00    -0.057 S 
ATOM     23  C   LIG    1        3.200   0.386   1.260  0.00  0.00    +0.165 A 
ATOM     24  N   LIG    1        4.204   0.240   2.085  0.00  0.00    -0.233 NA
ATOM     25  C   LIG    1        5.196  -0.496   1.469  0.00  0.00    +0.124 A 
ENDBRANCH  16  23
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 5