REMARK  Name = BDB021980
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.975  -2.002  -2.574  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -2.453  -1.655  -1.497  0.00  0.00    +0.308 C 
ATOM      3  N   LIG    1       -3.748  -2.016  -1.226  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -4.075  -2.710  -1.887  0.00  0.00    +0.156 HD
ATOM      5  N   LIG    1       -1.788  -1.004  -0.495  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1       -2.178  -1.143   0.425  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -4.692  -1.525  -0.307  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1       -4.577  -0.297   0.352  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1       -5.569   0.136   1.252  0.00  0.00    +0.057 A 
ATOM     10  C   LIG    1       -6.700  -0.666   1.460  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -6.836  -1.875   0.781  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -5.841  -2.296  -0.103  0.00  0.00    +0.023 A 
BRANCH   9  13
ATOM     13  C   LIG    1       -5.428   1.470   1.943  0.00  0.00    +0.417 C 
ATOM     14  F   LIG    1       -4.152   1.712   2.356  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -5.767   2.512   1.138  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -6.205   1.585   3.057  0.00  0.00    -0.166 F 
ENDBRANCH   9  13
ENDBRANCH   3   7
BRANCH   5  17
ATOM     17  C   LIG    1       -0.508  -0.418  -0.548  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        0.054   0.009   0.661  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        1.314   0.616   0.689  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        2.035   0.809  -0.496  0.00  0.00    -0.033 A 
ATOM     21  C   LIG    1        1.462   0.393  -1.705  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        0.202  -0.215  -1.731  0.00  0.00    +0.023 A 
BRANCH  20  23
ATOM     23  C   LIG    1        3.393   1.481  -0.475  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.450   0.682  -1.115  0.00  0.00    -0.294 NA
ATOM     25  C   LIG    1        4.773  -0.555  -0.369  0.00  0.00    +0.113 C 
ATOM     26  C   LIG    1        5.563  -0.318   0.929  0.00  0.00    +0.175 C 
ATOM     27  O   LIG    1        6.764   0.423   0.683  0.00  0.00    -0.377 OA
ATOM     28  C   LIG    1        6.473   1.671   0.043  0.00  0.00    +0.175 C 
ATOM     29  C   LIG    1        5.697   1.464  -1.269  0.00  0.00    +0.113 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   5  17
TORSDOF 5