REMARK  Name = BDB021695
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.049   1.410  -1.660  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        2.256   0.921  -1.149  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.164  -0.223  -0.393  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        1.243  -0.586  -0.233  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        3.318   1.498  -1.377  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -2.223  -1.032  -0.395  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -2.204   0.341   0.131  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -0.808   0.945  -0.009  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -0.319   0.868  -1.462  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1       -0.525  -0.512  -2.102  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -1.935  -1.036  -1.837  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1       -3.461  -1.788  -0.076  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1       -4.760  -1.047  -0.415  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -3.403  -2.257   1.399  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -5.685  -2.586   2.498  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -4.505  -3.248   1.799  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1        3.201  -0.949   0.230  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        2.828  -2.071   0.978  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        3.792  -2.848   1.627  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1        5.147  -2.521   1.542  0.00  0.00    +0.130 A 
ATOM     21  C   LIG    1        5.523  -1.406   0.797  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1        4.555  -0.626   0.145  0.00  0.00    +0.027 A 
BRANCH  20  23
ATOM     23  O   LIG    1        5.977  -3.364   2.223  0.00  0.00    -0.406 OA
BRANCH  23  24
ATOM     24  C   LIG    1        7.367  -3.095   2.183  0.00  0.00    +0.575 C 
ATOM     25  F   LIG    1        8.009  -4.036   2.914  0.00  0.00    -0.133 F 
ATOM     26  F   LIG    1        7.649  -1.888   2.718  0.00  0.00    -0.133 F 
ATOM     27  F   LIG    1        7.841  -3.153   0.920  0.00  0.00    -0.133 F 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   3  17
BRANCH   1  28
ATOM     28  C   LIG    1        1.131   2.651  -2.442  0.00  0.00    +0.144 C 
BRANCH  28  29
ATOM     29  C   LIG    1        0.631   3.854  -1.672  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -0.553   4.506  -2.045  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -1.013   5.608  -1.322  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -0.294   6.071  -0.222  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        0.886   5.434   0.157  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        1.347   4.332  -0.565  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 9