REMARK  Name = BDB008414
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.707  -2.432   1.484  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -3.672  -1.877   1.099  0.00  0.00    +0.272 A 
ATOM      3  C   LIG    1       -3.798  -0.545   0.484  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.684   0.159   0.034  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -2.840   1.431  -0.527  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -4.092   2.039  -0.668  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -5.205   1.324  -0.220  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1       -1.583   1.887  -0.865  0.00  0.00    -0.357 N 
ATOM      9  H   LIG    1       -1.390   2.787  -1.286  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1       -0.655   0.942  -0.529  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1        0.818   1.062  -0.711  0.00  0.00    +0.062 C 
ATOM     12  C   LIG    1        1.517   0.076   0.265  0.00  0.00    +0.031 C 
ATOM     13  C   LIG    1        0.889  -1.339   0.203  0.00  0.00    +0.066 C 
ATOM     14  C   LIG    1       -0.621  -1.312   0.456  0.00  0.00    +0.071 A 
ATOM     15  N   LIG    1       -1.166  -2.349   1.003  0.00  0.00    -0.175 NA
ATOM     16  C   LIG    1       -1.318  -0.139   0.012  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1       -5.064   0.056   0.347  0.00  0.00    +0.014 A 
ATOM     18  N   LIG    1       -2.482  -2.551   1.283  0.00  0.00    -0.242 N 
ATOM     19  H   LIG    1       -2.646  -3.453   1.724  0.00  0.00    +0.192 HD
ENDROOT
BRANCH  12  20
ATOM     20  C   LIG    1        3.018   0.046   0.038  0.00  0.00    -0.044 A 
ATOM     21  C   LIG    1        3.574  -0.453  -1.150  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        4.957  -0.466  -1.338  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.802   0.021  -0.344  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.265   0.521   0.839  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.882   0.535   1.030  0.00  0.00    +0.004 A 
ENDBRANCH  12  20
TORSDOF 1