REMARK  Name = BDB021271
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.292  -0.192  -0.640  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        1.839   0.280   0.627  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        0.487   0.536   0.750  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.279   1.032   2.016  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        1.516   1.011   2.616  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.424   0.328  -0.300  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.002  -0.077  -1.465  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.477   0.539   1.754  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.353  -0.319  -1.604  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        6.026   0.100  -0.948  0.00  0.00    +0.215 A 
ATOM     11  N   LIG    1        6.397  -1.045  -1.560  0.00  0.00    -0.221 NA
ATOM     12  C   LIG    1        5.413  -1.917  -1.856  0.00  0.00    +0.115 A 
ATOM     13  C   LIG    1        4.073  -1.693  -1.583  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        3.706  -0.493  -0.965  0.00  0.00    -0.006 A 
ATOM     15  C   LIG    1        4.715   0.415  -0.634  0.00  0.00    +0.076 A 
BRANCH  10  17
ATOM     16  C   LIG    1        8.305   0.630  -0.919  0.00  0.00    +0.279 C 
ATOM     17  O   LIG    1        6.978   1.042  -0.610  0.00  0.00    -0.480 OA
ENDBRANCH  10  17
ENDBRANCH   1  14
BRANCH   5  18
ATOM     18  C   LIG    1        1.838   1.420   3.950  0.00  0.00    +0.121 C 
ATOM     19  N   LIG    1        2.064   1.756   5.038  0.00  0.00    -0.189 NA
ENDBRANCH   5  18
BRANCH   6  20
ATOM     20  N   LIG    1       -1.766   0.576  -0.119  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.197   0.628  -1.040  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.549  -0.345   0.699  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.931   0.203   0.886  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -4.943   0.035  -0.055  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.925  -0.633  -1.379  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -6.427  -0.672  -1.661  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -7.078   0.358  -0.883  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -6.199   0.598   0.140  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -6.507   1.349   1.257  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -5.510   1.526   2.215  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -4.243   0.960   2.024  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -3.306   1.158   2.963  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6