REMARK  Name = BDB002119
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.659  -0.081  -1.174  0.00  0.00    +0.097 C 
ATOM      2  C   LIG    1       -1.041  -0.351  -2.446  0.00  0.00    +0.038 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -2.360  -0.847  -2.849  0.00  0.00    -0.005 A 
ATOM      4  C   LIG    1       -2.720  -2.181  -2.680  0.00  0.00    +0.118 A 
ATOM      5  N   LIG    1       -3.947  -2.672  -2.963  0.00  0.00    -0.263 NA
ATOM      6  C   LIG    1       -4.847  -1.803  -3.474  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1       -4.581  -0.461  -3.694  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -3.316   0.024  -3.371  0.00  0.00    +0.011 A 
ENDBRANCH   2   3
BRANCH   1  11
ATOM      9  N   LIG    1        1.395   0.355   0.142  0.00  0.00    -0.280 N 
ATOM     10  H   LIG    1        0.800   0.135   0.936  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        0.787   0.416  -1.083  0.00  0.00    +0.262 C 
ATOM     12  O   LIG    1        1.339   0.822  -2.107  0.00  0.00    -0.268 OA
BRANCH   9  16
ATOM     13  C   LIG    1        5.353   1.269   1.326  0.00  0.00    +0.120 A 
ATOM     14  C   LIG    1        5.017   1.296  -0.028  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1        3.716   1.001  -0.454  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        2.729   0.676   0.474  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        3.069   0.646   1.832  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1        4.371   0.941   2.258  0.00  0.00    +0.047 A 
BRANCH  13  20
ATOM     19  C   LIG    1        7.039   1.579   2.971  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        6.656   1.577   1.602  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
ENDBRANCH   9  16
ENDBRANCH   1  11
BRANCH   1  21
ATOM     21  N   LIG    1       -1.577  -0.266  -0.146  0.00  0.00    -0.277 N 
ATOM     22  H   LIG    1       -2.497  -0.530  -0.470  0.00  0.00    +0.155 HD
ATOM     23  C   LIG    1       -1.509  -0.067   1.219  0.00  0.00    +0.255 C 
ATOM     24  O   LIG    1       -0.490   0.313   1.788  0.00  0.00    -0.269 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -2.752  -0.364   1.935  0.00  0.00    +0.074 A 
ATOM     26  S   LIG    1       -2.934   0.222   3.543  0.00  0.00    -0.092 S 
ATOM     27  C   LIG    1       -4.493  -0.455   3.697  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1       -4.876  -1.129   2.561  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -3.873  -1.082   1.547  0.00  0.00    +0.021 A 
ENDBRANCH  23  25
ENDBRANCH   1  21
TORSDOF 6