REMARK  Name = BDB004117
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.559  -0.418  -0.237  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1        0.397  -0.810  -0.887  0.00  0.00    +0.129 A 
ATOM      3  N   LIG    1       -0.851  -0.484  -0.466  0.00  0.00    -0.221 NA
ATOM      4  C   LIG    1       -0.936   0.259   0.658  0.00  0.00    +0.215 A 
ATOM      5  C   LIG    1        0.164   0.667   1.397  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1        1.436   0.324   0.940  0.00  0.00    +0.022 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        2.859  -0.826  -0.798  0.00  0.00    +0.341 C 
ATOM      8  O   LIG    1        3.001  -1.810  -1.500  0.00  0.00    -0.245 OA
BRANCH   7   9
ATOM      9  O   LIG    1        3.801   0.075  -0.439  0.00  0.00    -0.455 OA
BRANCH   9  11
ATOM     10  C   LIG    1        5.823  -1.274  -0.162  0.00  0.00    +0.055 C 
ATOM     11  C   LIG    1        5.181  -0.075  -0.863  0.00  0.00    +0.106 C 
ATOM     12  C   LIG    1        5.876   1.212  -0.390  0.00  0.00    +0.055 C 
ATOM     13  C   LIG    1        5.309  -0.163  -2.388  0.00  0.00    +0.055 C 
ENDBRANCH   9  11
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   4  14
ATOM     14  O   LIG    1       -2.171   0.626   1.145  0.00  0.00    -0.471 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -3.250   0.494   0.201  0.00  0.00    +0.192 C 
ATOM     16  C   LIG    1       -3.770  -0.961   0.179  0.00  0.00    +0.148 C 
ATOM     17  N   LIG    1       -5.202  -1.088  -0.009  0.00  0.00    -0.312 N 
ATOM     18  H   LIG    1       -5.563  -1.554  -0.833  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -6.151  -0.704   0.897  0.00  0.00    +0.213 C 
ATOM     20  O   LIG    1       -7.343  -0.878   0.667  0.00  0.00    -0.276 OA
ATOM     21  C   LIG    1       -5.649  -0.053   2.167  0.00  0.00    +0.096 C 
ATOM     22  C   LIG    1       -4.992   1.311   1.952  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1       -4.308   1.540   0.600  0.00  0.00    +0.046 C 
ENDBRANCH  14  15
ENDBRANCH   4  14
TORSDOF 5