REMARK  Name = BDB062234
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.499   0.538   0.054  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -0.520   1.829   0.469  0.00  0.00    -0.250 NA
ATOM      3  C   LIG    1       -1.430   2.643  -0.106  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1       -2.336   2.232  -1.071  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1       -2.328   0.897  -1.478  0.00  0.00    -0.038 A 
ATOM      6  C   LIG    1       -1.379   0.041  -0.908  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1  15
ATOM      7  C   LIG    1        4.947  -1.611   2.251  0.00  0.00    +0.029 C 
ATOM      8  C   LIG    1        3.999  -0.778   1.386  0.00  0.00    +0.091 C 
ATOM      9  N   LIG    1        4.418   0.644   1.346  0.00  0.00    -0.289 N 
ATOM     10  C   LIG    1        5.497   1.139   0.614  0.00  0.00    +0.283 C 
ATOM     11  O   LIG    1        5.794   2.329   0.543  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1        3.492   1.601   1.953  0.00  0.00    +0.127 C 
ATOM     13  C   LIG    1        2.078   1.437   1.374  0.00  0.00    +0.127 C 
ATOM     14  N   LIG    1        1.635   0.035   1.327  0.00  0.00    -0.293 N 
ATOM     15  C   LIG    1        0.477  -0.419   0.686  0.00  0.00    +0.265 C 
ATOM     16  O   LIG    1        0.221  -1.624   0.602  0.00  0.00    -0.268 OA
ATOM     17  C   LIG    1        2.550  -0.944   1.919  0.00  0.00    +0.130 C 
BRANCH  10  18
ATOM     18  C   LIG    1        6.396   0.149  -0.126  0.00  0.00    +0.220 C 
ATOM     19  O   LIG    1        5.964  -0.663  -0.929  0.00  0.00    -0.287 OA
BRANCH  18  20
ATOM     20  C   LIG    1        7.837   0.260   0.231  0.00  0.00    +0.065 C 
ATOM     21  C   LIG    1        8.687  -0.985   0.347  0.00  0.00    +0.012 C 
ATOM     22  C   LIG    1        8.899  -0.042  -0.801  0.00  0.00    +0.012 C 
ENDBRANCH  18  20
ENDBRANCH  10  18
ENDBRANCH   1  15
BRANCH   5  23
ATOM     23  C   LIG    1       -3.286   0.391  -2.531  0.00  0.00    +0.092 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.750   0.666  -2.200  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1       -5.516  -0.311  -1.364  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1       -4.857  -1.547  -0.818  0.00  0.00    +0.037 C 
ATOM     27  C   LIG    1       -5.690  -2.260   0.253  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -7.159  -2.325  -0.143  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -7.731  -0.922  -0.354  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1       -6.810  -0.025  -1.134  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1       -7.403   1.226  -1.670  0.00  0.00    +0.268 A 
ATOM     32  O   LIG    1       -8.574   1.527  -1.466  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -6.562   2.022  -2.400  0.00  0.00    -0.243 N 
ATOM     34  H   LIG    1       -6.951   2.878  -2.781  0.00  0.00    +0.192 HD
ATOM     35  N   LIG    1       -5.258   1.763  -2.679  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   5  23
TORSDOF 5