REMARK  Name = BDB002810
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.702   1.019   0.768  0.00  0.00    +0.055 A 
ATOM      2  C   LIG    1       -2.407   0.680  -0.419  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -3.804   0.781  -0.399  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -4.489   1.157   0.762  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -3.792   1.451   1.940  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -2.392   1.385   1.929  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1       -1.690   0.259  -1.553  0.00  0.00    -0.324 N 
ATOM      8  C   LIG    1       -1.150  -1.121  -1.468  0.00  0.00    +0.133 C 
ATOM      9  C   LIG    1       -2.104  -2.134  -2.115  0.00  0.00    +0.178 C 
ATOM     10  O   LIG    1       -2.377  -1.786  -3.481  0.00  0.00    -0.377 OA
ATOM     11  C   LIG    1       -3.021  -0.506  -3.546  0.00  0.00    +0.178 C 
ATOM     12  C   LIG    1       -2.173   0.607  -2.905  0.00  0.00    +0.133 C 
ENDBRANCH   2   7
BRANCH   1  15
ATOM     13  O   LIG    1        0.423   1.569   2.831  0.00  0.00    -0.274 OA
ATOM     14  C   LIG    1        0.645   1.268   1.661  0.00  0.00    +0.231 C 
ATOM     15  N   LIG    1       -0.297   1.013   0.689  0.00  0.00    -0.283 N 
ATOM     16  H   LIG    1        0.081   0.810  -0.237  0.00  0.00    +0.155 HD
BRANCH  14  17
ATOM     17  C   LIG    1        2.084   1.184   1.125  0.00  0.00    +0.178 C 
BRANCH  17  18
ATOM     18  N   LIG    1        2.138   0.386  -0.125  0.00  0.00    -0.303 NA
ATOM     19  H   LIG    1        1.929  -0.586   0.142  0.00  0.00    +0.123 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.518   0.337  -0.649  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.409  -0.649   0.088  0.00  0.00    +0.055 A 
ATOM     22  N   LIG    1        3.800  -1.697   0.708  0.00  0.00    -0.259 NA
ATOM     23  C   LIG    1        4.594  -2.584   1.346  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1        5.975  -2.489   1.389  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        6.581  -1.422   0.738  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        5.792  -0.488   0.072  0.00  0.00    +0.024 A 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   1  15
BRANCH   5  27
ATOM     27  C   LIG    1       -4.517   1.866   3.195  0.00  0.00    +0.417 C 
ATOM     28  F   LIG    1       -4.351   3.186   3.484  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -5.865   1.670   3.126  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -4.103   1.181   4.298  0.00  0.00    -0.166 F 
ENDBRANCH   5  27
TORSDOF 7