REMARK  Name = BDB022988
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.043  -2.656   0.284  0.00  0.00    +0.081 C 
ATOM      2  N   LIG    1       -0.359  -1.886   1.483  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -1.570  -1.256   1.760  0.00  0.00    +0.220 C 
ATOM      4  O   LIG    1       -1.728  -0.643   2.821  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1        0.807  -1.237   2.104  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1        1.536  -0.370   1.086  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1        1.385  -0.609  -0.276  0.00  0.00    -0.005 A 
ATOM      8  C   LIG    1        2.082   0.244  -1.098  0.00  0.00    +0.120 A 
ATOM      9  N   LIG    1        2.881   1.229  -0.648  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1        2.975   1.382   0.678  0.00  0.00    +0.216 A 
ATOM     11  N   LIG    1        2.343   0.603   1.565  0.00  0.00    -0.218 NA
ATOM     12  C   LIG    1        0.477  -1.680  -0.826  0.00  0.00    +0.061 C 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1       -2.730  -1.343   0.774  0.00  0.00    +0.085 C 
ATOM     14  C   LIG    1       -3.418   0.044   0.635  0.00  0.00    +0.045 C 
ATOM     15  C   LIG    1       -4.900  -0.151   0.255  0.00  0.00    +0.093 C 
ATOM     16  N   LIG    1       -5.660  -0.859   1.299  0.00  0.00    -0.305 NA
ATOM     17  C   LIG    1       -6.897  -1.417   0.763  0.00  0.00    +0.104 C 
ATOM     18  C   LIG    1       -4.872  -1.850   2.041  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1       -3.711  -2.433   1.235  0.00  0.00    +0.029 C 
BRANCH  14  20
ATOM     20  C   LIG    1       -2.627   0.917  -0.337  0.00  0.00    -0.042 A 
ATOM     21  C   LIG    1       -2.815   0.869  -1.726  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -2.026   1.647  -2.579  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -1.035   2.474  -2.057  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -0.832   2.529  -0.681  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -1.623   1.758   0.172  0.00  0.00    +0.004 A 
ENDBRANCH  14  20
ENDBRANCH   3  13
BRANCH   1  27
ATOM     26  C   LIG    1       -0.185  -4.849  -0.990  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1       -0.900  -3.785  -0.162  0.00  0.00    +0.019 C 
ENDBRANCH   1  27
BRANCH  10  28
ATOM     28  N   LIG    1        3.757   2.373   1.229  0.00  0.00    -0.310 N 
ATOM     29  H   LIG    1        3.896   2.127   2.203  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1        4.923   2.913   0.540  0.00  0.00    +0.077 C 
ATOM     31  C   LIG    1        4.553   3.827  -0.625  0.00  0.00    +0.050 C 
ATOM     32  C   LIG    1        5.808   4.464  -1.217  0.00  0.00    +0.161 C 
ATOM     33  O   LIG    1        6.989   3.676  -1.038  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1        6.731   2.277  -1.095  0.00  0.00    +0.161 C 
ATOM     35  C   LIG    1        5.947   1.845   0.138  0.00  0.00    +0.050 C 
ENDBRANCH  28  30
ENDBRANCH  10  28
TORSDOF 5