REMARK  Name = BDB021891
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.176  -0.375  -0.059  0.00  0.00    -0.275 N 
ATOM      2  C   LIG    1        0.883   0.546  -0.112  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.128  -0.015   0.067  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        2.129  -0.896   0.567  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        0.684   1.746  -0.289  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.384   0.608  -0.074  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        4.501  -0.090   0.393  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1        5.773   0.463   0.270  0.00  0.00    +0.128 A 
ATOM      9  F   LIG    1        6.823  -0.226   0.740  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        5.972   1.708  -0.329  0.00  0.00    -0.015 A 
ATOM     11  C   LIG    1        7.346   2.295  -0.421  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1        4.854   2.407  -0.793  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        3.571   1.856  -0.673  0.00  0.00    +0.024 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1       -4.234   0.796  -0.625  0.00  0.00    -0.302 NA
ATOM     15  C   LIG    1       -3.514   0.229  -1.765  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1       -2.002   0.399  -1.584  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1       -1.547   0.178  -0.129  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1       -2.588  -0.627   0.652  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1       -3.951   0.078   0.627  0.00  0.00    +0.086 C 
BRANCH  14  21
ATOM     20  C   LIG    1       -6.410   1.720   0.170  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1       -5.671   0.919  -0.897  0.00  0.00    +0.081 C 
ENDBRANCH  14  21
ENDBRANCH   1  17
BRANCH   1  22
ATOM     22  C   LIG    1        0.023  -1.797  -0.367  0.00  0.00    +0.183 C 
BRANCH  22  23
ATOM     23  C   LIG    1        0.295  -2.567   0.878  0.00  0.00    +0.122 A 
ATOM     24  O   LIG    1        1.582  -2.546   1.339  0.00  0.00    -0.466 OA
ATOM     25  C   LIG    1        1.614  -3.303   2.465  0.00  0.00    +0.195 A 
ATOM     26  C   LIG    1        0.370  -3.821   2.732  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1       -0.483  -3.351   1.705  0.00  0.00    +0.046 A 
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 5