REMARK  Name = BDB061691
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.126   0.431  -0.736  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        1.019   0.643  -0.069  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        2.144   0.927  -0.757  0.00  0.00    +0.136 A 
ATOM      4  C   LIG    1        2.129   1.035  -2.131  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1        0.912   0.810  -2.734  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1       -0.212   0.500  -2.066  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.314   1.418  -2.937  0.00  0.00    +0.422 C 
ATOM      8  F   LIG    1        3.679   2.721  -2.782  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1        3.111   1.264  -4.280  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1        4.426   0.677  -2.667  0.00  0.00    -0.166 F 
ENDBRANCH   4   7
BRANCH   1  11
ATOM     11  N   LIG    1       -1.224   0.133   0.066  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1       -0.928   0.152   1.031  0.00  0.00    +0.155 HD
BRANCH  11  20
ATOM     13  C   LIG    1       -8.916  -1.583   0.280  0.00  0.00    +0.152 C 
ATOM     14  N   LIG    1       -7.499  -1.275   0.401  0.00  0.00    -0.318 N 
ATOM     15  C   LIG    1       -6.749  -1.050  -0.760  0.00  0.00    +0.259 A 
ATOM     16  O   LIG    1       -7.211  -1.097  -1.898  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -5.306  -0.740  -0.566  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1       -4.781  -0.688   0.728  0.00  0.00    -0.010 A 
ATOM     19  C   LIG    1       -3.421  -0.396   0.906  0.00  0.00    +0.032 A 
ATOM     20  C   LIG    1       -2.570  -0.151  -0.188  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -3.124  -0.210  -1.472  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1       -5.654  -0.939   1.872  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1       -4.480  -0.501  -1.665  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1       -6.946  -1.215   1.666  0.00  0.00    +0.089 A 
ENDBRANCH  11  20
ENDBRANCH   1  11
BRANCH   3  25
ATOM     25  N   LIG    1        3.328   1.167  -0.051  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1        4.094   0.573  -0.407  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1        3.293   1.067   1.415  0.00  0.00    +0.072 C 
ATOM     28  C   LIG    1        4.493   1.845   1.972  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1        5.857   1.240   1.609  0.00  0.00    +0.020 C 
ATOM     30  C   LIG    1        5.830  -0.276   1.358  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        4.732  -0.936   2.193  0.00  0.00    +0.020 C 
ATOM     32  C   LIG    1        3.325  -0.402   1.885  0.00  0.00    +0.024 C 
BRANCH  30  33
ATOM     33  N   LIG    1        5.607  -0.559  -0.066  0.00  0.00    -0.327 NA
ATOM     34  H   LIG    1        6.382  -0.173  -0.611  0.00  0.00    +0.118 HD
ATOM     35  H   LIG    1        5.648  -1.569  -0.216  0.00  0.00    +0.118 HD
ENDBRANCH  30  33
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6