REMARK  Name = BDB002825
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.367   0.859   1.813  0.00  0.00    +0.154 C 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1        6.333  -0.896  -2.267  0.00  0.00    +0.044 C 
ATOM      3  C   LIG    1        5.087  -0.802  -1.435  0.00  0.00    -0.048 A 
ATOM      4  C   LIG    1        4.327   0.375  -1.428  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        3.189   0.463  -0.626  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        2.798  -0.608   0.185  0.00  0.00    -0.001 A 
ATOM      7  C   LIG    1        1.599  -0.472   1.010  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        0.863   0.655   0.980  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        1.293   1.805   0.128  0.00  0.00    +0.254 A 
ATOM     10  O   LIG    1        0.663   2.857   0.091  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        3.561  -1.776   0.190  0.00  0.00    +0.010 A 
ATOM     12  N   LIG    1        2.424   1.634  -0.625  0.00  0.00    -0.322 N 
ATOM     13  H   LIG    1        2.696   2.423  -1.195  0.00  0.00    +0.169 HD
ATOM     14  C   LIG    1        4.703  -1.870  -0.613  0.00  0.00    +0.004 A 
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  N   LIG    1       -1.625   0.850   1.047  0.00  0.00    -0.263 N 
ATOM     16  C   LIG    1       -2.683   1.559   1.672  0.00  0.00    +0.258 C 
ATOM     17  O   LIG    1       -2.577   1.966   2.832  0.00  0.00    -0.269 OA
BRANCH  15  18
ATOM     18  C   LIG    1       -1.934  -0.376   0.367  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1       -1.309  -0.674  -0.849  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1       -1.599  -1.863  -1.521  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -2.521  -2.760  -0.986  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.157  -2.468   0.220  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -2.867  -1.280   0.894  0.00  0.00    +0.023 A 
ENDBRANCH  15  18
BRANCH  16  24
ATOM     24  C   LIG    1       -3.876   1.808   0.859  0.00  0.00    +0.074 A 
ATOM     25  S   LIG    1       -5.384   2.061   1.640  0.00  0.00    -0.092 S 
ATOM     26  C   LIG    1       -6.201   2.264   0.152  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -5.349   2.162  -0.923  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -4.007   1.908  -0.516  0.00  0.00    +0.021 A 
ENDBRANCH  16  24
ENDBRANCH   1  15
TORSDOF 4