REMARK  Name = BDB020221
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.187  -0.620  -0.244  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1       -1.839  -0.904  -0.085  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1       -0.928   0.034   0.588  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        0.333  -0.664   1.124  0.00  0.00    +0.127 C 
ATOM      5  N   LIG    1        0.946  -1.488   0.077  0.00  0.00    -0.298 N 
ATOM      6  C   LIG    1        2.000  -1.077  -0.730  0.00  0.00    +0.216 C 
ATOM      7  O   LIG    1        2.251  -1.623  -1.803  0.00  0.00    -0.276 OA
ATOM      8  C   LIG    1        0.034  -2.511  -0.443  0.00  0.00    +0.127 C 
ATOM      9  C   LIG    1       -1.226  -1.854  -1.024  0.00  0.00    +0.130 C 
ATOM     10  O   LIG    1       -3.928  -1.257  -0.982  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -3.579   0.436   0.513  0.00  0.00    -0.445 OA
BRANCH  11  13
ATOM     12  C   LIG    1       -5.354   1.405  -0.896  0.00  0.00    +0.055 C 
ATOM     13  C   LIG    1       -4.953   0.902   0.495  0.00  0.00    +0.107 C 
ATOM     14  C   LIG    1       -5.914  -0.172   1.018  0.00  0.00    +0.055 C 
ATOM     15  C   LIG    1       -4.971   2.090   1.469  0.00  0.00    +0.055 C 
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   6  16
ATOM     16  C   LIG    1        2.852   0.068  -0.210  0.00  0.00    +0.108 C 
BRANCH  16  17
ATOM     17  C   LIG    1        4.047   0.386  -1.121  0.00  0.00    +0.084 C 
ATOM     18  C   LIG    1        4.570   1.761  -0.761  0.00  0.00    +0.223 C 
ATOM     19  O   LIG    1        4.030   2.791  -1.158  0.00  0.00    -0.275 OA
ATOM     20  N   LIG    1        5.629   1.817   0.109  0.00  0.00    -0.256 N 
ATOM     21  H   LIG    1        5.945   2.744   0.360  0.00  0.00    +0.157 HD
ATOM     22  C   LIG    1        6.347   0.778   0.645  0.00  0.00    +0.219 C 
ATOM     23  O   LIG    1        7.269   0.988   1.429  0.00  0.00    -0.275 OA
ATOM     24  C   LIG    1        5.903  -0.615   0.278  0.00  0.00    +0.097 C 
ATOM     25  C   LIG    1        5.186  -0.636  -1.062  0.00  0.00    +0.022 C 
ENDBRANCH  16  17
ENDBRANCH   6  16
TORSDOF 4