REMARK  Name = BDB008894
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.095   1.782   0.223  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        0.036   0.988  -0.030  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        0.964   0.705   0.984  0.00  0.00    -0.033 A 
ATOM      4  C   LIG    1        0.763   1.250   2.259  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -0.344   2.057   2.516  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.264   2.325   1.503  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -2.071   2.085  -0.891  0.00  0.00    +0.092 C 
BRANCH   7  16
ATOM      8  O   LIG    1       -7.385   1.713   0.533  0.00  0.00    -0.266 OA
ATOM      9  C   LIG    1       -6.202   1.739   0.210  0.00  0.00    +0.268 A 
ATOM     10  C   LIG    1       -5.462   0.504  -0.153  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -6.250  -0.777  -0.140  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1       -5.534  -1.923  -0.857  0.00  0.00    +0.005 C 
ATOM     13  C   LIG    1       -4.060  -1.967  -0.476  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1       -3.355  -0.652  -0.827  0.00  0.00    +0.037 C 
ATOM     15  C   LIG    1       -4.160   0.569  -0.481  0.00  0.00    -0.016 A 
ATOM     16  C   LIG    1       -3.536   1.930  -0.492  0.00  0.00    +0.069 A 
ATOM     17  N   LIG    1       -4.175   3.021  -0.187  0.00  0.00    -0.175 NA
ATOM     18  N   LIG    1       -5.483   2.902   0.162  0.00  0.00    -0.243 N 
ATOM     19  H   LIG    1       -5.971   3.759   0.404  0.00  0.00    +0.192 HD
ENDBRANCH   7  16
ENDBRANCH   1   7
BRANCH   3  20
ATOM     20  C   LIG    1        2.181  -0.150   0.704  0.00  0.00    +0.116 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.386   0.672   0.665  0.00  0.00    -0.309 NA
ATOM     22  H   LIG    1        3.216   1.476   0.062  0.00  0.00    +0.123 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.613  -0.009   0.239  0.00  0.00    +0.054 C 
ATOM     24  C   LIG    1        4.944  -1.266   1.061  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1        6.273  -1.881   0.623  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1        6.287  -2.180  -0.873  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1        5.953  -0.940  -1.699  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1        4.627  -0.314  -1.269  0.00  0.00    +0.019 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5