REMARK  Name = BDB013162
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.203  -0.472  -0.171  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1        0.362   0.804  -0.234  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1        1.718   1.026  -0.248  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1        1.942   2.324  -0.288  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1        0.722   2.963  -0.340  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.566  -0.117  -0.223  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        1.939  -1.315  -0.175  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1       -0.210   2.038  -0.333  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1        0.573  -1.522  -0.162  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        4.045  -0.061  -0.219  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        4.827  -0.884  -1.026  0.00  0.00    +0.120 A 
ATOM     12  N   LIG    1        6.182  -0.868  -1.062  0.00  0.00    -0.250 NA
ATOM     13  C   LIG    1        6.828   0.028  -0.263  0.00  0.00    +0.144 A 
ATOM     14  C   LIG    1        6.125   0.909   0.559  0.00  0.00    +0.033 A 
ATOM     15  C   LIG    1        4.729   0.860   0.579  0.00  0.00    +0.012 A 
BRANCH  13  16
ATOM     16  C   LIG    1        8.350   0.102  -0.291  0.00  0.00    +0.434 C 
ATOM     17  F   LIG    1        8.956  -1.000  -0.817  0.00  0.00    -0.164 F 
ATOM     18  F   LIG    1        8.889   0.254   0.957  0.00  0.00    -0.164 F 
ATOM     19  F   LIG    1        8.810   1.164  -1.014  0.00  0.00    -0.164 F 
ENDBRANCH  13  16
ENDBRANCH   6  10
BRANCH   1  20
ATOM     20  N   LIG    1       -1.570  -0.645  -0.144  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.747  -1.637  -0.311  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.314  -0.267   1.058  0.00  0.00    +0.143 C 
BRANCH  22  25
ATOM     23  F   LIG    1       -3.589  -2.147   2.743  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -4.334  -1.595   1.774  0.00  0.00    +0.129 A 
ATOM     25  C   LIG    1       -3.758  -0.653   0.910  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -4.588  -0.111  -0.067  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.287   0.847  -1.159  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -5.713   1.179  -1.602  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -6.592   0.104  -1.202  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -5.916  -0.506  -0.178  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -6.480  -1.445   0.661  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -5.673  -1.992   1.658  0.00  0.00    +0.042 A 
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 5