REMARK  Name = BDB051890
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.402  -0.883  -0.382  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1       -0.073   0.412  -0.466  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1        0.621   1.122  -0.658  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.283  -1.897  -0.322  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        4.055   1.806   1.034  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        2.865   1.134   0.731  0.00  0.00    +0.056 A 
ATOM      7  C   LIG    1        2.879  -0.088   0.017  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1        1.863  -0.978  -0.450  0.00  0.00    +0.063 A 
ATOM      9  C   LIG    1        2.521  -2.059  -1.005  0.00  0.00    +0.108 A 
ATOM     10  N   LIG    1        3.890  -1.867  -0.965  0.00  0.00    -0.287 N 
ATOM     11  C   LIG    1        4.876  -2.752  -1.462  0.00  0.00    +0.229 C 
ATOM     12  O   LIG    1        6.065  -2.469  -1.389  0.00  0.00    -0.273 OA
ATOM     13  C   LIG    1        4.358  -4.022  -2.070  0.00  0.00    +0.113 C 
ATOM     14  C   LIG    1        4.119  -0.635  -0.339  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        5.320   0.038  -0.038  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        5.269   1.261   0.641  0.00  0.00    +0.048 A 
BRANCH   5  18
ATOM     17  C   LIG    1        5.057   3.679   2.103  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        3.880   2.982   1.712  0.00  0.00    -0.495 OA
ENDBRANCH   5  18
ENDBRANCH   1   8
BRANCH   2  19
ATOM     19  C   LIG    1       -1.412   0.851  -0.383  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1       -2.496   0.009  -0.106  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1       -3.808   0.510  -0.003  0.00  0.00    -0.012 A 
ATOM     22  C   LIG    1       -4.023   1.878  -0.197  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -2.949   2.720  -0.497  0.00  0.00    +0.061 A 
ATOM     24  C   LIG    1       -1.646   2.216  -0.574  0.00  0.00    +0.038 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -4.930  -0.368   0.295  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -4.844  -1.589   0.933  0.00  0.00    +0.116 A 
ATOM     27  N   LIG    1       -6.117  -2.074   1.019  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1       -6.534  -3.323   1.608  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1       -7.038  -1.254   0.483  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1       -6.317  -0.217   0.050  0.00  0.00    +0.142 A 
ENDBRANCH  21  25
BRANCH  23  31
ATOM     31  C   LIG    1       -3.216   4.160  -0.693  0.00  0.00    +0.337 C 
ATOM     32  O   LIG    1       -3.945   4.808   0.034  0.00  0.00    -0.245 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -2.595   4.659  -1.782  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1       -2.201   3.990  -2.372  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  23  31
ENDBRANCH   2  19
TORSDOF 6