REMARK  Name = BDB033128
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.329   2.470  -0.808  0.00  0.00    +0.110 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.281   1.301  -1.594  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1       -1.117   0.387  -0.707  0.00  0.00    +0.113 C 
ATOM      4  N   LIG    1       -2.427   0.990  -0.741  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -2.613   1.753  -1.883  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -3.654   2.267  -2.258  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -1.299   1.802  -2.626  0.00  0.00    +0.102 C 
BRANCH   4   8
ATOM      8  C   LIG    1       -3.522   0.524   0.090  0.00  0.00    +0.142 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -3.980  -0.865  -0.286  0.00  0.00    -0.030 A 
ATOM     10  C   LIG    1       -3.618  -1.975   0.493  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1       -4.019  -3.274   0.133  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -4.788  -3.450  -1.026  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -5.149  -2.353  -1.808  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -4.749  -1.068  -1.440  0.00  0.00    +0.005 A 
BRANCH  11  15
ATOM     15  C   LIG    1       -3.611  -4.448   0.988  0.00  0.00    +0.417 C 
ATOM     16  F   LIG    1       -4.125  -5.638   0.571  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1       -2.259  -4.617   1.025  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1       -4.002  -4.308   2.286  0.00  0.00    -0.166 F 
ENDBRANCH  11  15
ENDBRANCH   8   9
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  21
ATOM     19  O   LIG    1        2.970   1.681  -1.426  0.00  0.00    -0.270 OA
ATOM     20  C   LIG    1        2.611   1.675  -0.253  0.00  0.00    +0.248 C 
ATOM     21  N   LIG    1        1.342   2.038   0.133  0.00  0.00    -0.311 N 
ATOM     22  H   LIG    1        1.125   2.008   1.126  0.00  0.00    +0.149 HD
BRANCH  20  23
ATOM     23  C   LIG    1        3.562   1.255   0.826  0.00  0.00    +0.079 A 
ATOM     24  C   LIG    1        3.243   1.189   2.191  0.00  0.00    +0.129 A 
ATOM     25  C   LIG    1        4.200   0.784   3.126  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1        5.486   0.437   2.706  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        5.836   0.499   1.351  0.00  0.00    +0.056 A 
ATOM     28  C   LIG    1        4.864   0.905   0.421  0.00  0.00    +0.029 A 
BRANCH  27  29
ATOM     29  C   LIG    1        7.223   0.104   0.903  0.00  0.00    +0.417 C 
ATOM     30  F   LIG    1        7.552   0.573  -0.330  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        7.380  -1.246   0.851  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        8.191   0.560   1.747  0.00  0.00    -0.166 F 
ENDBRANCH  27  29
BRANCH  24  33
ATOM     33  O   LIG    1        1.988   1.514   2.640  0.00  0.00    -0.506 OA
ATOM     34  H   LIG    1        1.959   1.390   3.607  0.00  0.00    +0.292 HD
ENDBRANCH  24  33
ENDBRANCH  20  23
ENDBRANCH   1  21
TORSDOF 8