REMARK  Name = LIG000046
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.478   1.933   0.182  0.00  0.00    +0.059 A 
ATOM      2  N   LIG    1        1.538   1.085  -0.111  0.00  0.00    -0.229 NA
ATOM      3  C   LIG    1        2.677   1.742  -0.169  0.00  0.00    +0.164 A 
ATOM      4  S   LIG    1        2.519   3.443   0.106  0.00  0.00    -0.060 S 
ATOM      5  C   LIG    1        0.833   3.260   0.316  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   3   6
ATOM      6  N   LIG    1        3.901   1.240  -0.417  0.00  0.00    -0.279 N 
ATOM      7  H   LIG    1        4.695   1.866  -0.432  0.00  0.00    +0.155 HD
BRANCH   6   8
ATOM      8  C   LIG    1        4.312  -0.063  -0.666  0.00  0.00    +0.126 A 
ATOM      9  N   LIG    1        5.641  -0.198  -0.875  0.00  0.00    -0.225 NA
ATOM     10  C   LIG    1        6.129  -1.433  -1.124  0.00  0.00    +0.108 A 
ATOM     11 BR   LIG    1        7.998  -1.593  -1.413  0.00  0.00    -0.029 Br
ATOM     12  C   LIG    1        5.348  -2.574  -1.180  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        3.986  -2.432  -0.966  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        3.464  -1.165  -0.707  0.00  0.00    +0.044 A 
ENDBRANCH   6   8
ENDBRANCH   3   6
BRANCH   1  15
ATOM     15  C   LIG    1       -0.900   1.353   0.272  0.00  0.00    +0.152 C 
BRANCH  15  18
ATOM     16  N   LIG    1       -2.747   0.947   1.913  0.00  0.00    -0.264 N 
ATOM     17  H   LIG    1       -3.101   1.080   2.849  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1       -1.537   1.522   1.645  0.00  0.00    +0.224 C 
ATOM     19  O   LIG    1       -1.018   2.179   2.553  0.00  0.00    -0.275 OA
BRANCH  16  23
ATOM     20  C   LIG    1       -6.652  -1.761  -0.015  0.00  0.00    +0.053 C 
ATOM     21  C   LIG    1       -5.385  -1.013   0.179  0.00  0.00    +0.008 A 
ATOM     22  S   LIG    1       -4.983  -0.331   1.702  0.00  0.00    -0.057 S 
ATOM     23  C   LIG    1       -3.525   0.253   1.036  0.00  0.00    +0.165 A 
ATOM     24  N   LIG    1       -3.312  -0.009  -0.226  0.00  0.00    -0.233 NA
ATOM     25  C   LIG    1       -4.375  -0.739  -0.723  0.00  0.00    +0.124 A 
ENDBRANCH  16  23
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 5