REMARK  Name = BDB060868
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.136   1.037   0.150  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        2.697   0.445   1.378  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        1.590   0.256   2.443  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.946   1.514   2.850  0.00  0.00    -0.294 NA
ATOM      5  C   LIG    1        0.900   2.502   1.756  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        0.966   1.921   0.323  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        4.075   0.640  -3.541  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        4.774   0.364  -2.422  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.121   0.506  -1.242  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        4.869   0.246  -0.156  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        2.781   0.914  -1.074  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        2.109   1.181  -2.274  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        2.748   1.049  -3.509  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        6.997  -0.274  -3.971  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        6.055   0.087  -5.004  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        6.369   0.051  -5.966  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        4.749   0.502  -4.877  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        4.122   0.767  -5.905  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -0.342   1.332   3.538  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.490   0.759   2.719  0.00  0.00    +0.057 A 
ATOM     21  N   LIG    1       -2.136   1.598   1.864  0.00  0.00    -0.258 NA
ATOM     22  C   LIG    1       -3.159   1.092   1.134  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1       -3.578  -0.226   1.202  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1       -2.900  -1.064   2.084  0.00  0.00    +0.052 A 
ATOM     25  N   LIG    1       -3.292  -2.404   2.188  0.00  0.00    -0.322 N 
ATOM     26  H   LIG    1       -2.816  -3.033   2.822  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1       -4.319  -2.950   1.467  0.00  0.00    +0.253 A 
ATOM     28  C   LIG    1       -5.046  -2.048   0.520  0.00  0.00    +0.023 A 
ATOM     29  O   LIG    1       -4.639  -4.127   1.590  0.00  0.00    -0.268 OA
ATOM     30  C   LIG    1       -4.678  -0.759   0.403  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -1.848  -0.581   2.855  0.00  0.00    +0.051 A 
BRANCH  28  32
ATOM     32  C   LIG    1       -6.159  -2.672  -0.278  0.00  0.00    +0.112 C 
BRANCH  32  33
ATOM     33  C   LIG    1       -7.353  -3.082   0.570  0.00  0.00    +0.346 C 
ATOM     34  F   LIG    1       -7.906  -1.977   1.139  0.00  0.00    -0.209 F 
ATOM     35  F   LIG    1       -8.310  -3.604  -0.243  0.00  0.00    -0.209 F 
ENDBRANCH  32  33
ENDBRANCH  28  32
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 6