REMARK  Name = BDB014241
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.475   0.419  -0.505  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1        2.292  -0.286  -0.266  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1        2.104  -1.562  -0.779  0.00  0.00    +0.089 A 
ATOM      4  C   LIG    1        0.824  -2.003  -0.371  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        0.248  -0.994   0.380  0.00  0.00    +0.019 A 
ATOM      6  N   LIG    1        3.033  -2.201  -1.530  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1        4.168  -1.504  -1.750  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1        1.155   0.038   0.439  0.00  0.00    -0.356 N 
ATOM      9  H   LIG    1        1.022   0.922   0.919  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1        4.438  -0.229  -1.277  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1        2.834   2.372   0.726  0.00  0.00    -0.245 OA
ATOM     12  C   LIG    1        3.652   1.774   0.050  0.00  0.00    +0.339 C 
BRANCH  12  13
ATOM     13  O   LIG    1        4.840   2.313  -0.269  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1        4.827   3.197   0.154  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   5  15
ATOM     15  C   LIG    1       -1.084  -0.917   1.051  0.00  0.00    +0.056 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.192  -0.490   0.087  0.00  0.00    -0.005 C 
ATOM     17  C   LIG    1       -3.574  -0.519   0.738  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1       -4.440   0.306  -0.205  0.00  0.00    +0.000 C 
ATOM     19  C   LIG    1       -3.495   1.300  -0.881  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -2.093   0.962  -0.381  0.00  0.00    +0.004 C 
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 4