REMARK  Name = BDB049292
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.683  -0.392  -0.751  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1        0.367  -0.250  -0.269  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -0.724  -0.803  -0.976  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1       -0.461  -1.503  -2.154  0.00  0.00    +0.047 A 
ATOM      5  N   LIG    1       -1.669  -1.950  -2.639  0.00  0.00    -0.360 N 
ATOM      6  H   LIG    1       -1.781  -2.487  -3.488  0.00  0.00    +0.165 HD
ATOM      7  C   LIG    1       -2.687  -1.560  -1.811  0.00  0.00    +0.092 A 
ATOM      8  C   LIG    1        0.830  -1.665  -2.665  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -2.140  -0.842  -0.766  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        1.888  -1.098  -1.945  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        4.977   1.297   1.397  0.00  0.00    +0.117 A 
ATOM     12  C   LIG    1        3.923   2.110   1.004  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        2.847   1.558   0.304  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        2.817   0.189  -0.013  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1        3.899  -0.609   0.397  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        4.976  -0.061   1.100  0.00  0.00    +0.046 A 
BRANCH  11  17
ATOM     17  O   LIG    1        6.006   1.875   2.080  0.00  0.00    -0.507 OA
ATOM     18  H   LIG    1        6.659   1.189   2.294  0.00  0.00    +0.292 HD
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   9  19
ATOM     19  C   LIG    1       -2.945  -0.254   0.292  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1       -2.777   1.094   0.638  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -3.545   1.667   1.655  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -4.481   0.887   2.326  0.00  0.00    +0.117 A 
ATOM     23  C   LIG    1       -4.662  -0.451   1.995  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -3.894  -1.022   0.978  0.00  0.00    +0.012 A 
BRANCH  22  25
ATOM     25  O   LIG    1       -5.252   1.404   3.325  0.00  0.00    -0.507 OA
ATOM     26  H   LIG    1       -5.011   2.337   3.449  0.00  0.00    +0.292 HD
ENDBRANCH  22  25
ENDBRANCH   9  19
TORSDOF 4