REMARK  Name = LIG001824
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.814   1.132  -0.038  0.00  0.00    +0.127 A 
ATOM      2  N   LIG    1       -2.955   2.342   0.454  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.833   3.033   0.807  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1       -0.552   2.502   0.652  0.00  0.00    -0.199 N 
ATOM      5  N   LIG    1        0.418   3.362   1.100  0.00  0.00    -0.171 NA
ATOM      6  C   LIG    1       -0.263   4.436   1.507  0.00  0.00    +0.152 A 
ATOM      7  C   LIG    1       -0.358   1.213   0.103  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1       -1.641   4.280   1.349  0.00  0.00    +0.082 A 
ATOM      9 BR   LIG    1       -2.927   5.553   1.813  0.00  0.00    -0.045 Br
ATOM     10  C   LIG    1       -1.451   0.516  -0.252  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -4.113  -1.004   0.046  0.00  0.00    +0.077 C 
ATOM     12  N   LIG    1       -3.964   0.410  -0.382  0.00  0.00    -0.312 N 
ATOM     13  C   LIG    1       -5.208   1.173  -0.581  0.00  0.00    +0.107 C 
ATOM     14  C   LIG    1       -6.167   0.434  -1.502  0.00  0.00    +0.019 C 
ATOM     15  C   LIG    1       -6.486  -0.949  -0.962  0.00  0.00    +0.003 C 
ATOM     16  C   LIG    1       -5.203  -1.740  -0.747  0.00  0.00    +0.022 C 
BRANCH  11  17
ATOM     17  C   LIG    1       -4.153  -1.159   1.585  0.00  0.00    +0.050 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -5.479  -0.936   2.295  0.00  0.00    +0.157 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -6.339  -2.055   2.124  0.00  0.00    -0.395 OA
ATOM     20  H   LIG    1       -5.986  -2.781   2.668  0.00  0.00    +0.209 HD
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  11  17
ENDBRANCH   1  12
BRANCH   7  21
ATOM     21  N   LIG    1        0.962   0.778  -0.045  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1        1.611   1.418   0.428  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.400  -0.603  -0.052  0.00  0.00    +0.138 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.898  -0.666  -0.221  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        3.499  -0.215  -1.402  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        4.889  -0.272  -1.565  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1        5.726  -0.785  -0.558  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.104  -1.222   0.627  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1        3.716  -1.166   0.796  0.00  0.00    +0.006 A 
BRANCH  27  30
ATOM     30  C   LIG    1        7.196  -0.860  -0.711  0.00  0.00    +0.071 A 
ATOM     31  N   LIG    1        7.914  -0.783   0.441  0.00  0.00    -0.255 NA
ATOM     32  C   LIG    1        9.261  -0.840   0.356  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1        9.954  -0.981  -0.832  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        9.219  -1.072  -2.005  0.00  0.00    +0.004 A 
ATOM     35  C   LIG    1        7.827  -1.012  -1.947  0.00  0.00    +0.028 A 
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   7  21
TORSDOF 8