REMARK  Name = BDB021251
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.982   0.801  -0.294  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.738   0.466   1.071  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        0.444   0.622   1.532  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.453   0.316   2.872  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        1.748  -0.061   3.146  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.609   1.052   0.704  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.374   1.364  -0.541  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.535   0.024   2.025  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.916   1.223  -1.008  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        5.308  -0.569  -1.477  0.00  0.00    +0.139 A 
ATOM     11  C   LIG    1        4.065  -0.476  -0.850  0.00  0.00    +0.057 A 
ATOM     12  C   LIG    1        3.298   0.690  -0.958  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        3.847   1.737  -1.696  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        5.043   1.685  -2.327  0.00  0.00    -0.259 NA
ATOM     15  C   LIG    1        5.745   0.533  -2.201  0.00  0.00    +0.156 A 
BRANCH  10  17
ATOM     16  C   LIG    1        7.266  -1.848  -1.873  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        5.962  -1.756  -1.311  0.00  0.00    -0.494 OA
ENDBRANCH  10  17
ENDBRANCH   1  12
BRANCH   5  18
ATOM     18  C   LIG    1        2.276  -0.484   4.407  0.00  0.00    +0.121 C 
ATOM     19  N   LIG    1        2.667  -0.830   5.445  0.00  0.00    -0.189 NA
ENDBRANCH   5  18
BRANCH   6  20
ATOM     20  N   LIG    1       -1.893   1.165   1.188  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.454   1.650   0.489  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.602  -0.017   1.673  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.011  -0.044   1.153  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -4.310  -0.311  -0.181  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -3.412  -0.554  -1.337  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -4.439  -1.064  -2.347  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -5.748  -0.576  -1.972  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -5.624  -0.310  -0.633  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -6.691  -0.042   0.200  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -6.417   0.220   1.542  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -5.093   0.216   2.004  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -4.871   0.474   3.300  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6